1-[(2S,4R)-6-[3-(cyclopentylamino)phenyl]-4-[2-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[2-(1,1-difluoroethoxy)anilino]-6-[3-(dipropylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(1-methylimidazol-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate

C110H124F4N14O10 — CID 159812058

IUPAC1-[(2S,4R)-6-[3-(cyclopentylamino)phenyl]-4-[2-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[2-(1,1-difluoroethoxy)anilino]-6-[3-(dipropylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(1-methylimidazol-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate
SMILESCC(=O)N1c2ccc(-c3cccc(NC4CCCC4)c3)cc2[C@H](Nc2ccccc2OC(C)(F)F)C[C@@H]1C.CCCN(CCC)c1cccc(-c2ccc3c(c2)[C@H](Nc2ccccc2OC(C)(F)F)C[C@H](C)N3C(C)=O)c1.COC(=O)c1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cn(C)cn4)cc32)cc1.COC(=O)c1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cnc[nH]4)cc32)cc1
InChIInChI=1S/C32H39F2N3O2.C31H35F2N3O2.C24H26N4O3.C23H24N4O3/c1-6-17-36(18-7-2)26-12-10-11-24(20-26)25-15-16-30-27(21-25)29(19-22(3)37(30)23(4)38)35-28-13-8-9-14-31(28)39-32(5,33)34;1-20-17-28(35-27-13-6-7-14-30(27)38-31(3,32)33)26-19-23(15-16-29(26)36(20)21(2)37)22-9-8-12-25(18-22)34-24-10-4-5-11-24;1-15-11-21(26-19-8-5-17(6-9-19)24(30)31-4)20-12-18(22-13-27(3)14-25-22)7-10-23(20)28(15)16(2)29;1-14-10-20(26-18-7-4-16(5-8-18)23(29)30-3)19-11-17(21-12-24-13-25-21)6-9-22(19)27(14)15(2)28/h8-16,20-22,29,35H,6-7,17-19H2,1-5H3;6-9,12-16,18-20,24,28,34-35H,4-5,10-11,17H2,1-3H3;5-10,12-15,21,26H,11H2,1-4H3;4-9,11-14,20,26H,10H2,1-3H3,(H,24,25)/t22-,29+;20-,28+;15-,21+;14-,20+/m0000/s1
InChIKeyNLDQKWGNZRKMDU-YISLQDMYSA-N
MW1878.28 g/mol
LogP24.60
Rot. Bonds25

About 1-[(2S,4R)-6-[3-(cyclopentylamino)phenyl]-4-[2-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[2-(1,1-difluoroethoxy)anilino]-6-[3-(dipropylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(1-methylimidazol-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate

1-[(2S,4R)-6-[3-(cyclopentylamino)phenyl]-4-[2-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[2-(1,1-difluoroethoxy)anilino]-6-[3-(dipropylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(1-methylimidazol-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate (PubChem CID 159812058) has the molecular formula C110H124F4N14O10 and a molecular weight of 1878.28 g/mol. Its IUPAC name is 1-[(2S,4R)-6-[3-(cyclopentylamino)phenyl]-4-[2-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[2-(1,1-difluoroethoxy)anilino]-6-[3-(dipropylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(1-methylimidazol-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate.

Molecular Properties

Compound Name1-[(2S,4R)-6-[3-(cyclopentylamino)phenyl]-4-[2-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[2-(1,1-difluoroethoxy)anilino]-6-[3-(dipropylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(1-methylimidazol-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate
PubChem CID159812058
Molecular FormulaC110H124F4N14O10
Molecular Weight1878.28 g/mol
Exact Mass1876.96
IUPAC Name1-[(2S,4R)-6-[3-(cyclopentylamino)phenyl]-4-[2-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[2-(1,1-difluoroethoxy)anilino]-6-[3-(dipropylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(1-methylimidazol-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate
SMILESCC(=O)N1c2ccc(-c3cccc(NC4CCCC4)c3)cc2[C@H](Nc2ccccc2OC(C)(F)F)C[C@@H]1C.CCCN(CCC)c1cccc(-c2ccc3c(c2)[C@H](Nc2ccccc2OC(C)(F)F)C[C@H](C)N3C(C)=O)c1.COC(=O)c1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cn(C)cn4)cc32)cc1.COC(=O)c1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cnc[nH]4)cc32)cc1
InChIInChI=1S/C32H39F2N3O2.C31H35F2N3O2.C24H26N4O3.C23H24N4O3/c1-6-17-36(18-7-2)26-12-10-11-24(20-26)25-15-16-30-27(21-25)29(19-22(3)37(30)23(4)38)35-28-13-8-9-14-31(28)39-32(5,33)34;1-20-17-28(35-27-13-6-7-14-30(27)38-31(3,32)33)26-19-23(15-16-29(26)36(20)21(2)37)22-9-8-12-25(18-22)34-24-10-4-5-11-24;1-15-11-21(26-19-8-5-17(6-9-19)24(30)31-4)20-12-18(22-13-27(3)14-25-22)7-10-23(20)28(15)16(2)29;1-14-10-20(26-18-7-4-16(5-8-18)23(29)30-3)19-11-17(21-12-24-13-25-21)6-9-22(19)27(14)15(2)28/h8-16,20-22,29,35H,6-7,17-19H2,1-5H3;6-9,12-16,18-20,24,28,34-35H,4-5,10-11,17H2,1-3H3;5-10,12-15,21,26H,11H2,1-4H3;4-9,11-14,20,26H,10H2,1-3H3,(H,24,25)/t22-,29+;20-,28+;15-,21+;14-,20+/m0000/s1
InChIKeyNLDQKWGNZRKMDU-YISLQDMYSA-N
XLogP24.60
TPSA262.19 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001878.28
LogP ≤ 524.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze 1-[(2S,4R)-6-[3-(cyclopentylamino)phenyl]-4-[2-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[2-(1,1-difluoroethoxy)anilino]-6-[3-(dipropylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(1-methylimidazol-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate with MolForge

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Related Compounds

3-[(6Z,8E)-14-[4-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)piperidin-1-yl]-11-oxa-4,18,20,23,24-pentazatetracyclo[17.3.1.12,5.012,17]tetracosa-1(23),2,4,6,8,12(17),13,15,19,21-decaen-3-yl]-N-(2,6-difluorophenyl)benzamide
CID 145527118
3-ethyl-8-[[5-fluoro-4-[3-[8-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-3-carbonyl]phenyl]-6-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one
CID 155027520
tert-butyl 4-[[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carbonyl]amino]piperidine-1-carboxylate;2-chloro-8-(4-fluoro-2-methoxyphenyl)quinazoline;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;methane;2,2,2-trifluoroacetic acid
CID 157617326
1-[4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]ethanone;1-[(2S,4R)-4-(4-fluoro-2-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-(4-methoxyanilino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(pyrimidin-5-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 158793484
6-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide;6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 158901876
1-[(2S,4R)-4-[2-(1,1-difluoroethoxy)anilino]-6-[3-(dipropylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[[(2S,4R)-6-(3-acetamidophenyl)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-[[4-(1-methoxyethenyl)phenyl]methyl]amino]methyl]benzoate;methyl 4-[[(2S,4R)-1-acetyl-6-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(1-methylimidazol-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate
CID 159444564
1-[4-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]ethanone;1-[(2S,4R)-4-(1,3-dihydro-2-benzofuran-5-ylamino)-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 2-[[(2S,4R)-1-acetyl-2-methyl-6-(3-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-(pyrimidin-5-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-(3-methylphenyl)-4-[2-(trifluoromethoxy)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 160534598
tert-butyl 4-[[7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carbonyl]amino]piperidine-1-carboxylate;2-chloro-8-(4-fluoro-2-methoxyphenyl)quinazoline;7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;2,2,2-trifluoroacetic acid
CID 160879103
methyl 3-[[4-[3-[2-[[4-[[5-(carbamoylamino)-2-[[2-[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonylamino]ethoxy]quinolin-6-yl]-5-[6-(difluoromethyl)-2-pyridinyl]-1H-imidazol-2-yl]methylamino]-4-fluorobenzoate
CID 166923226
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl 4-[2-[6-[2-[(2-fluoroanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]oxyethyl]piperidine-1-carboxylate
CID 166923427
methyl 3-[[4-[3-[2-[[4-[[(2S)-5-(carbamoylamino)-2-[[2-[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonylamino]ethoxy]quinolin-6-yl]-5-[6-(difluoromethyl)-2-pyridinyl]-1H-imidazol-2-yl]methylamino]-4-fluorobenzoate
CID 166923657
N-[2-[2-(dimethylamino)ethoxy]-5-(12-oxo-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaen-4-yl)phenyl]-3-[4-[[1-methyl-4-(prop-2-enoylamino)pyrrolidin-3-yl]amino]-12-oxo-3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaen-13-yl]prop-2-enamide
CID 123550471

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-6-[3-(cyclopentylamino)phenyl]-4-[2-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[2-(1,1-difluoroethoxy)anilino]-6-[3-(dipropylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(1-methylimidazol-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate?
The IUPAC name of 1-[(2S,4R)-6-[3-(cyclopentylamino)phenyl]-4-[2-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[2-(1,1-difluoroethoxy)anilino]-6-[3-(dipropylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(1-methylimidazol-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate (CID 159812058) is 1-[(2S,4R)-6-[3-(cyclopentylamino)phenyl]-4-[2-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[2-(1,1-difluoroethoxy)anilino]-6-[3-(dipropylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(1-methylimidazol-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate.
What is the SMILES notation for 1-[(2S,4R)-6-[3-(cyclopentylamino)phenyl]-4-[2-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[2-(1,1-difluoroethoxy)anilino]-6-[3-(dipropylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(1-methylimidazol-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate?
The canonical SMILES for 1-[(2S,4R)-6-[3-(cyclopentylamino)phenyl]-4-[2-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[2-(1,1-difluoroethoxy)anilino]-6-[3-(dipropylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(1-methylimidazol-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate is CC(=O)N1c2ccc(-c3cccc(NC4CCCC4)c3)cc2[C@H](Nc2ccccc2OC(C)(F)F)C[C@@H]1C.CCCN(CCC)c1cccc(-c2ccc3c(c2)[C@H](Nc2ccccc2OC(C)(F)F)C[C@H](C)N3C(C)=O)c1.COC(=O)c1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cn(C)cn4)cc32)cc1.COC(=O)c1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cnc[nH]4)cc32)cc1.
What is the InChIKey of 1-[(2S,4R)-6-[3-(cyclopentylamino)phenyl]-4-[2-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[2-(1,1-difluoroethoxy)anilino]-6-[3-(dipropylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(1-methylimidazol-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate?
The InChIKey is NLDQKWGNZRKMDU-YISLQDMYSA-N. The full InChI is InChI=1S/C32H39F2N3O2.C31H35F2N3O2.C24H26N4O3.C23H24N4O3/c1-6-17-36(18-7-2)26-12-10-11-24(20-26)25-15-16-30-27(21-25)29(19-22(3)37(30)23(4)38)35-28-13-8-9-14-31(28)39-32(5,33)34;1-20-17-28(35-27-13-6-7-14-30(27)38-31(3,32)33)26-19-23(15-16-29(26)36(20)21(2)37)22-9-8-12-25(18-22)34-24-10-4-5-11-24;1-15-11-21(26-19-8-5-17(6-9-19)24(30)31-4)20-12-18(22-13-27(3)14-25-22)7-10-23(20)28(15)16(2)29;1-14-10-20(26-18-7-4-16(5-8-18)23(29)30-3)19-11-17(21-12-24-13-25-21)6-9-22(19)27(14)15(2)28/h8-16,20-22,29,35H,6-7,17-19H2,1-5H3;6-9,12-16,18-20,24,28,34-35H,4-5,10-11,17H2,1-3H3;5-10,12-15,21,26H,11H2,1-4H3;4-9,11-14,20,26H,10H2,1-3H3,(H,24,25)/t22-,29+;20-,28+;15-,21+;14-,20+/m0000/s1.
What are the key properties of 1-[(2S,4R)-6-[3-(cyclopentylamino)phenyl]-4-[2-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[2-(1,1-difluoroethoxy)anilino]-6-[3-(dipropylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(1-methylimidazol-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate?
1-[(2S,4R)-6-[3-(cyclopentylamino)phenyl]-4-[2-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[2-(1,1-difluoroethoxy)anilino]-6-[3-(dipropylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(1-methylimidazol-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate has a molecular weight of 1878.28 g/mol, XLogP of 24.60, 25 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-6-[3-(cyclopentylamino)phenyl]-4-[2-(1,1-difluoroethoxy)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[2-(1,1-difluoroethoxy)anilino]-6-[3-(dipropylamino)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;methyl 4-[[(2S,4R)-1-acetyl-6-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-(1-methylimidazol-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate is sourced from PubChem (CID 159812058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).