(3S,4R)-N-(2-aminoethyl)-N-benzyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;4-ethyl-N-[(3S,4R)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-[4-(4-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide

C229H282FN31O34S8 — CID 158965001

IUPAC(3S,4R)-N-(2-aminoethyl)-N-benzyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;4-ethyl-N-[(3S,4R)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-[4-(4-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(C)CCc4ccncc4)ccc3NC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(CC)Cc4ccc(OC)cc4)ccc3NC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(CC)Cc4ccncc4)ccc3NC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(CCN)Cc4ccccc4)ccc3NC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N4CCN(c5ccc(C)cc5)CC4)ccc3NC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N4CCN(c5ccc(F)cc5)CC4)ccc3NC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)NCCN4CCOCC4)ccc3NC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)NCCc4ccncc4)ccc3NC(C)(C)[C@H]2O)cc1
InChIInChI=1S/C31H38N4O4S.C30H35FN4O4S.C30H37N3O5S.C29H36N4O4S.2C28H34N4O4S.C27H32N4O4S.C26H36N4O5S/c1-5-22-8-13-25(14-9-22)40(38,39)33-28-26-20-23(10-15-27(26)32-31(3,4)29(28)36)30(37)35-18-16-34(17-19-35)24-11-6-21(2)7-12-24;1-4-20-5-12-24(13-6-20)40(38,39)33-27-25-19-21(7-14-26(25)32-30(2,3)28(27)36)29(37)35-17-15-34(16-18-35)23-10-8-22(31)9-11-23;1-6-20-10-15-24(16-11-20)39(36,37)32-27-25-18-22(12-17-26(25)31-30(3,4)28(27)34)29(35)33(7-2)19-21-8-13-23(38-5)14-9-21;1-4-20-10-13-23(14-11-20)38(36,37)32-26-24-18-22(12-15-25(24)31-29(2,3)27(26)34)28(35)33(17-16-30)19-21-8-6-5-7-9-21;1-5-19-6-9-22(10-7-19)37(35,36)31-25-23-18-21(8-11-24(23)30-28(2,3)26(25)33)27(34)32(4)17-14-20-12-15-29-16-13-20;1-5-19-7-10-22(11-8-19)37(35,36)31-25-23-17-21(9-12-24(23)30-28(3,4)26(25)33)27(34)32(6-2)18-20-13-15-29-16-14-20;1-4-18-5-8-21(9-6-18)36(34,35)31-24-22-17-20(7-10-23(22)30-27(2,3)25(24)32)26(33)29-16-13-19-11-14-28-15-12-19;1-4-18-5-8-20(9-6-18)36(33,34)29-23-21-17-19(7-10-22(21)28-26(2,3)24(23)31)25(32)27-11-12-30-13-15-35-16-14-30/h6-15,20,28-29,32-33,36H,5,16-19H2,1-4H3;5-14,19,27-28,32-33,36H,4,15-18H2,1-3H3;8-18,27-28,31-32,34H,6-7,19H2,1-5H3;5-15,18,26-27,31-32,34H,4,16-17,19,30H2,1-3H3;6-13,15-16,18,25-26,30-31,33H,5,14,17H2,1-4H3;7-17,25-26,30-31,33H,5-6,18H2,1-4H3;5-12,14-15,17,24-25,30-32H,4,13,16H2,1-3H3,(H,29,33);5-10,17,23-24,28-29,31H,4,11-16H2,1-3H3,(H,27,32)/t28-,29+;2*27-,28+;26-,27+;2*25-,26+;24-,25+;23-,24+/m11111111/s1
InChIKeyJNBZYMXRFRFTIM-XFCQIEJHSA-N
MW4288.49 g/mol
LogP28.51
Rot. Bonds62

About (3S,4R)-N-(2-aminoethyl)-N-benzyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;4-ethyl-N-[(3S,4R)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-[4-(4-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide

(3S,4R)-N-(2-aminoethyl)-N-benzyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;4-ethyl-N-[(3S,4R)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-[4-(4-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 158965001) has the molecular formula C229H282FN31O34S8 and a molecular weight of 4288.49 g/mol. Its IUPAC name is (3S,4R)-N-(2-aminoethyl)-N-benzyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;4-ethyl-N-[(3S,4R)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-[4-(4-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name(3S,4R)-N-(2-aminoethyl)-N-benzyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;4-ethyl-N-[(3S,4R)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-[4-(4-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID158965001
Molecular FormulaC229H282FN31O34S8
Molecular Weight4288.49 g/mol
Exact Mass4284.90
IUPAC Name(3S,4R)-N-(2-aminoethyl)-N-benzyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;4-ethyl-N-[(3S,4R)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-[4-(4-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(C)CCc4ccncc4)ccc3NC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(CC)Cc4ccc(OC)cc4)ccc3NC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(CC)Cc4ccncc4)ccc3NC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(CCN)Cc4ccccc4)ccc3NC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N4CCN(c5ccc(C)cc5)CC4)ccc3NC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N4CCN(c5ccc(F)cc5)CC4)ccc3NC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)NCCN4CCOCC4)ccc3NC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)NCCc4ccncc4)ccc3NC(C)(C)[C@H]2O)cc1
InChIInChI=1S/C31H38N4O4S.C30H35FN4O4S.C30H37N3O5S.C29H36N4O4S.2C28H34N4O4S.C27H32N4O4S.C26H36N4O5S/c1-5-22-8-13-25(14-9-22)40(38,39)33-28-26-20-23(10-15-27(26)32-31(3,4)29(28)36)30(37)35-18-16-34(17-19-35)24-11-6-21(2)7-12-24;1-4-20-5-12-24(13-6-20)40(38,39)33-27-25-19-21(7-14-26(25)32-30(2,3)28(27)36)29(37)35-17-15-34(16-18-35)23-10-8-22(31)9-11-23;1-6-20-10-15-24(16-11-20)39(36,37)32-27-25-18-22(12-17-26(25)31-30(3,4)28(27)34)29(35)33(7-2)19-21-8-13-23(38-5)14-9-21;1-4-20-10-13-23(14-11-20)38(36,37)32-26-24-18-22(12-15-25(24)31-29(2,3)27(26)34)28(35)33(17-16-30)19-21-8-6-5-7-9-21;1-5-19-6-9-22(10-7-19)37(35,36)31-25-23-18-21(8-11-24(23)30-28(2,3)26(25)33)27(34)32(4)17-14-20-12-15-29-16-13-20;1-5-19-7-10-22(11-8-19)37(35,36)31-25-23-17-21(9-12-24(23)30-28(3,4)26(25)33)27(34)32(6-2)18-20-13-15-29-16-14-20;1-4-18-5-8-21(9-6-18)36(34,35)31-24-22-17-20(7-10-23(22)30-27(2,3)25(24)32)26(33)29-16-13-19-11-14-28-15-12-19;1-4-18-5-8-20(9-6-18)36(33,34)29-23-21-17-19(7-10-22(21)28-26(2,3)24(23)31)25(32)27-11-12-30-13-15-35-16-14-30/h6-15,20,28-29,32-33,36H,5,16-19H2,1-4H3;5-14,19,27-28,32-33,36H,4,15-18H2,1-3H3;8-18,27-28,31-32,34H,6-7,19H2,1-5H3;5-15,18,26-27,31-32,34H,4,16-17,19,30H2,1-3H3;6-13,15-16,18,25-26,30-31,33H,5,14,17H2,1-4H3;7-17,25-26,30-31,33H,5-6,18H2,1-4H3;5-12,14-15,17,24-25,30-32H,4,13,16H2,1-3H3,(H,29,33);5-10,17,23-24,28-29,31H,4,11-16H2,1-3H3,(H,27,32)/t28-,29+;2*27-,28+;26-,27+;2*25-,26+;24-,25+;23-,24+/m11111111/s1
InChIKeyJNBZYMXRFRFTIM-XFCQIEJHSA-N
XLogP28.51
TPSA900.37 Ų
H-Bond Donors27
H-Bond Acceptors49
Rotatable Bonds62
Heavy Atoms303
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004288.49
LogP ≤ 528.51
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1049

Analyze (3S,4R)-N-(2-aminoethyl)-N-benzyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;4-ethyl-N-[(3S,4R)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-[4-(4-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-(2-aminoethyl)-N-benzyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;4-ethyl-N-[(3S,4R)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-[4-(4-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of (3S,4R)-N-(2-aminoethyl)-N-benzyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;4-ethyl-N-[(3S,4R)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-[4-(4-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide (CID 158965001) is (3S,4R)-N-(2-aminoethyl)-N-benzyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;4-ethyl-N-[(3S,4R)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-[4-(4-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for (3S,4R)-N-(2-aminoethyl)-N-benzyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;4-ethyl-N-[(3S,4R)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-[4-(4-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for (3S,4R)-N-(2-aminoethyl)-N-benzyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;4-ethyl-N-[(3S,4R)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-[4-(4-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide is CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(C)CCc4ccncc4)ccc3NC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(CC)Cc4ccc(OC)cc4)ccc3NC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(CC)Cc4ccncc4)ccc3NC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(CCN)Cc4ccccc4)ccc3NC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N4CCN(c5ccc(C)cc5)CC4)ccc3NC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N4CCN(c5ccc(F)cc5)CC4)ccc3NC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)NCCN4CCOCC4)ccc3NC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)NCCc4ccncc4)ccc3NC(C)(C)[C@H]2O)cc1.
What is the InChIKey of (3S,4R)-N-(2-aminoethyl)-N-benzyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;4-ethyl-N-[(3S,4R)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-[4-(4-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is JNBZYMXRFRFTIM-XFCQIEJHSA-N. The full InChI is InChI=1S/C31H38N4O4S.C30H35FN4O4S.C30H37N3O5S.C29H36N4O4S.2C28H34N4O4S.C27H32N4O4S.C26H36N4O5S/c1-5-22-8-13-25(14-9-22)40(38,39)33-28-26-20-23(10-15-27(26)32-31(3,4)29(28)36)30(37)35-18-16-34(17-19-35)24-11-6-21(2)7-12-24;1-4-20-5-12-24(13-6-20)40(38,39)33-27-25-19-21(7-14-26(25)32-30(2,3)28(27)36)29(37)35-17-15-34(16-18-35)23-10-8-22(31)9-11-23;1-6-20-10-15-24(16-11-20)39(36,37)32-27-25-18-22(12-17-26(25)31-30(3,4)28(27)34)29(35)33(7-2)19-21-8-13-23(38-5)14-9-21;1-4-20-10-13-23(14-11-20)38(36,37)32-26-24-18-22(12-15-25(24)31-29(2,3)27(26)34)28(35)33(17-16-30)19-21-8-6-5-7-9-21;1-5-19-6-9-22(10-7-19)37(35,36)31-25-23-18-21(8-11-24(23)30-28(2,3)26(25)33)27(34)32(4)17-14-20-12-15-29-16-13-20;1-5-19-7-10-22(11-8-19)37(35,36)31-25-23-17-21(9-12-24(23)30-28(3,4)26(25)33)27(34)32(6-2)18-20-13-15-29-16-14-20;1-4-18-5-8-21(9-6-18)36(34,35)31-24-22-17-20(7-10-23(22)30-27(2,3)25(24)32)26(33)29-16-13-19-11-14-28-15-12-19;1-4-18-5-8-20(9-6-18)36(33,34)29-23-21-17-19(7-10-22(21)28-26(2,3)24(23)31)25(32)27-11-12-30-13-15-35-16-14-30/h6-15,20,28-29,32-33,36H,5,16-19H2,1-4H3;5-14,19,27-28,32-33,36H,4,15-18H2,1-3H3;8-18,27-28,31-32,34H,6-7,19H2,1-5H3;5-15,18,26-27,31-32,34H,4,16-17,19,30H2,1-3H3;6-13,15-16,18,25-26,30-31,33H,5,14,17H2,1-4H3;7-17,25-26,30-31,33H,5-6,18H2,1-4H3;5-12,14-15,17,24-25,30-32H,4,13,16H2,1-3H3,(H,29,33);5-10,17,23-24,28-29,31H,4,11-16H2,1-3H3,(H,27,32)/t28-,29+;2*27-,28+;26-,27+;2*25-,26+;24-,25+;23-,24+/m11111111/s1.
What are the key properties of (3S,4R)-N-(2-aminoethyl)-N-benzyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;4-ethyl-N-[(3S,4R)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-[4-(4-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide?
(3S,4R)-N-(2-aminoethyl)-N-benzyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;4-ethyl-N-[(3S,4R)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-[4-(4-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 4288.49 g/mol, XLogP of 28.51, 62 rotatable bonds, 27 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-(2-aminoethyl)-N-benzyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-quinoline-6-carboxamide;4-ethyl-N-[(3S,4R)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-[4-(4-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 158965001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).