4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;1-[(2S,4R)-4-anilino-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[(4-fluoro-2-pyridinyl)amino]-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;tris(2-methylpropane)

C151H200FN23O10 — CID 159403687

IUPAC4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;1-[(2S,4R)-4-anilino-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[(4-fluoro-2-pyridinyl)amino]-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;tris(2-methylpropane)
SMILESCC(=O)N1c2ccc(-c3ccc(C(=O)O)cc3)cc2[C@H](NC(C)C)C[C@@H]1C.CC(=O)N1c2ccc(-c3ccc(C(=O)O)cc3)cc2[C@H](Nc2ccc(C)cc2)C[C@@H]1C.CC(C)C.CC(C)C.CC(C)C.CNCCn1cc(-c2ccc3c(c2)[C@H](NC(C)C)C[C@H](C)N3C(C)=O)cn1.CNCCn1cc(-c2ccc3c(c2)[C@H](Nc2cc(F)ccn2)C[C@H](C)N3C(C)=O)cn1.CNCCn1cc(-c2ccc3c(c2)[C@H](Nc2ccccc2)C[C@H](C)N3C(C)=O)cn1.CNCc1ccc(-c2ccc3c(c2)[C@H](NC(C)C)C[C@H](C)N3C(C)=O)cc1
InChIInChI=1S/C26H26N2O3.C24H29N5O.C23H27FN6O.C23H31N3O.C22H26N2O3.C21H31N5O.3C4H10/c1-16-4-11-22(12-5-16)27-24-14-17(2)28(18(3)29)25-13-10-21(15-23(24)25)19-6-8-20(9-7-19)26(30)31;1-17-13-23(27-21-7-5-4-6-8-21)22-14-19(9-10-24(22)29(17)18(2)30)20-15-26-28(16-20)12-11-25-3;1-15-10-21(28-23-12-19(24)6-7-26-23)20-11-17(4-5-22(20)30(15)16(2)31)18-13-27-29(14-18)9-8-25-3;1-15(2)25-22-12-16(3)26(17(4)27)23-11-10-20(13-21(22)23)19-8-6-18(7-9-19)14-24-5;1-13(2)23-20-11-14(3)24(15(4)25)21-10-9-18(12-19(20)21)16-5-7-17(8-6-16)22(26)27;1-14(2)24-20-10-15(3)26(16(4)27)21-7-6-17(11-19(20)21)18-12-23-25(13-18)9-8-22-5;3*1-4(2)3/h4-13,15,17,24,27H,14H2,1-3H3,(H,30,31);4-10,14-17,23,25,27H,11-13H2,1-3H3;4-7,11-15,21,25H,8-10H2,1-3H3,(H,26,28);6-11,13,15-16,22,24-25H,12,14H2,1-5H3;5-10,12-14,20,23H,11H2,1-4H3,(H,26,27);6-7,11-15,20,22,24H,8-10H2,1-5H3;3*4H,1-3H3/t17-,24+;17-,23+;15-,21+;16-,22+;14-,20+;15-,20+;;;/m000000.../s1
InChIKeyLNRIBMLCHBIUHU-XQMAEZLUSA-N
MW2516.41 g/mol
LogP29.76
Rot. Bonds31

About 4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;1-[(2S,4R)-4-anilino-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[(4-fluoro-2-pyridinyl)amino]-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;tris(2-methylpropane)

4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;1-[(2S,4R)-4-anilino-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[(4-fluoro-2-pyridinyl)amino]-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;tris(2-methylpropane) (PubChem CID 159403687) has the molecular formula C151H200FN23O10 and a molecular weight of 2516.41 g/mol. Its IUPAC name is 4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;1-[(2S,4R)-4-anilino-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[(4-fluoro-2-pyridinyl)amino]-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;tris(2-methylpropane).

Molecular Properties

Compound Name4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;1-[(2S,4R)-4-anilino-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[(4-fluoro-2-pyridinyl)amino]-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;tris(2-methylpropane)
PubChem CID159403687
Molecular FormulaC151H200FN23O10
Molecular Weight2516.41 g/mol
Exact Mass2514.58
IUPAC Name4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;1-[(2S,4R)-4-anilino-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[(4-fluoro-2-pyridinyl)amino]-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;tris(2-methylpropane)
SMILESCC(=O)N1c2ccc(-c3ccc(C(=O)O)cc3)cc2[C@H](NC(C)C)C[C@@H]1C.CC(=O)N1c2ccc(-c3ccc(C(=O)O)cc3)cc2[C@H](Nc2ccc(C)cc2)C[C@@H]1C.CC(C)C.CC(C)C.CC(C)C.CNCCn1cc(-c2ccc3c(c2)[C@H](NC(C)C)C[C@H](C)N3C(C)=O)cn1.CNCCn1cc(-c2ccc3c(c2)[C@H](Nc2cc(F)ccn2)C[C@H](C)N3C(C)=O)cn1.CNCCn1cc(-c2ccc3c(c2)[C@H](Nc2ccccc2)C[C@H](C)N3C(C)=O)cn1.CNCc1ccc(-c2ccc3c(c2)[C@H](NC(C)C)C[C@H](C)N3C(C)=O)cc1
InChIInChI=1S/C26H26N2O3.C24H29N5O.C23H27FN6O.C23H31N3O.C22H26N2O3.C21H31N5O.3C4H10/c1-16-4-11-22(12-5-16)27-24-14-17(2)28(18(3)29)25-13-10-21(15-23(24)25)19-6-8-20(9-7-19)26(30)31;1-17-13-23(27-21-7-5-4-6-8-21)22-14-19(9-10-24(22)29(17)18(2)30)20-15-26-28(16-20)12-11-25-3;1-15-10-21(28-23-12-19(24)6-7-26-23)20-11-17(4-5-22(20)30(15)16(2)31)18-13-27-29(14-18)9-8-25-3;1-15(2)25-22-12-16(3)26(17(4)27)23-11-10-20(13-21(22)23)19-8-6-18(7-9-19)14-24-5;1-13(2)23-20-11-14(3)24(15(4)25)21-10-9-18(12-19(20)21)16-5-7-17(8-6-16)22(26)27;1-14(2)24-20-10-15(3)26(16(4)27)21-7-6-17(11-19(20)21)18-12-23-25(13-18)9-8-22-5;3*1-4(2)3/h4-13,15,17,24,27H,14H2,1-3H3,(H,30,31);4-10,14-17,23,25,27H,11-13H2,1-3H3;4-7,11-15,21,25H,8-10H2,1-3H3,(H,26,28);6-11,13,15-16,22,24-25H,12,14H2,1-5H3;5-10,12-14,20,23H,11H2,1-4H3,(H,26,27);6-7,11-15,20,22,24H,8-10H2,1-5H3;3*4H,1-3H3/t17-,24+;17-,23+;15-,21+;16-,22+;14-,20+;15-,20+;;;/m000000.../s1
InChIKeyLNRIBMLCHBIUHU-XQMAEZLUSA-N
XLogP29.76
TPSA383.11 Ų
H-Bond Donors12
H-Bond Acceptors25
Rotatable Bonds31
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002516.41
LogP ≤ 529.76
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1025

Analyze 4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;1-[(2S,4R)-4-anilino-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[(4-fluoro-2-pyridinyl)amino]-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;tris(2-methylpropane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;1-[(2S,4R)-4-anilino-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[(4-fluoro-2-pyridinyl)amino]-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;tris(2-methylpropane)?
The IUPAC name of 4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;1-[(2S,4R)-4-anilino-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[(4-fluoro-2-pyridinyl)amino]-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;tris(2-methylpropane) (CID 159403687) is 4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;1-[(2S,4R)-4-anilino-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[(4-fluoro-2-pyridinyl)amino]-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;tris(2-methylpropane).
What is the SMILES notation for 4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;1-[(2S,4R)-4-anilino-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[(4-fluoro-2-pyridinyl)amino]-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;tris(2-methylpropane)?
The canonical SMILES for 4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;1-[(2S,4R)-4-anilino-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[(4-fluoro-2-pyridinyl)amino]-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;tris(2-methylpropane) is CC(=O)N1c2ccc(-c3ccc(C(=O)O)cc3)cc2[C@H](NC(C)C)C[C@@H]1C.CC(=O)N1c2ccc(-c3ccc(C(=O)O)cc3)cc2[C@H](Nc2ccc(C)cc2)C[C@@H]1C.CC(C)C.CC(C)C.CC(C)C.CNCCn1cc(-c2ccc3c(c2)[C@H](NC(C)C)C[C@H](C)N3C(C)=O)cn1.CNCCn1cc(-c2ccc3c(c2)[C@H](Nc2cc(F)ccn2)C[C@H](C)N3C(C)=O)cn1.CNCCn1cc(-c2ccc3c(c2)[C@H](Nc2ccccc2)C[C@H](C)N3C(C)=O)cn1.CNCc1ccc(-c2ccc3c(c2)[C@H](NC(C)C)C[C@H](C)N3C(C)=O)cc1.
What is the InChIKey of 4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;1-[(2S,4R)-4-anilino-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[(4-fluoro-2-pyridinyl)amino]-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;tris(2-methylpropane)?
The InChIKey is LNRIBMLCHBIUHU-XQMAEZLUSA-N. The full InChI is InChI=1S/C26H26N2O3.C24H29N5O.C23H27FN6O.C23H31N3O.C22H26N2O3.C21H31N5O.3C4H10/c1-16-4-11-22(12-5-16)27-24-14-17(2)28(18(3)29)25-13-10-21(15-23(24)25)19-6-8-20(9-7-19)26(30)31;1-17-13-23(27-21-7-5-4-6-8-21)22-14-19(9-10-24(22)29(17)18(2)30)20-15-26-28(16-20)12-11-25-3;1-15-10-21(28-23-12-19(24)6-7-26-23)20-11-17(4-5-22(20)30(15)16(2)31)18-13-27-29(14-18)9-8-25-3;1-15(2)25-22-12-16(3)26(17(4)27)23-11-10-20(13-21(22)23)19-8-6-18(7-9-19)14-24-5;1-13(2)23-20-11-14(3)24(15(4)25)21-10-9-18(12-19(20)21)16-5-7-17(8-6-16)22(26)27;1-14(2)24-20-10-15(3)26(16(4)27)21-7-6-17(11-19(20)21)18-12-23-25(13-18)9-8-22-5;3*1-4(2)3/h4-13,15,17,24,27H,14H2,1-3H3,(H,30,31);4-10,14-17,23,25,27H,11-13H2,1-3H3;4-7,11-15,21,25H,8-10H2,1-3H3,(H,26,28);6-11,13,15-16,22,24-25H,12,14H2,1-5H3;5-10,12-14,20,23H,11H2,1-4H3,(H,26,27);6-7,11-15,20,22,24H,8-10H2,1-5H3;3*4H,1-3H3/t17-,24+;17-,23+;15-,21+;16-,22+;14-,20+;15-,20+;;;/m000000.../s1.
What are the key properties of 4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;1-[(2S,4R)-4-anilino-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[(4-fluoro-2-pyridinyl)amino]-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;tris(2-methylpropane)?
4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;1-[(2S,4R)-4-anilino-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[(4-fluoro-2-pyridinyl)amino]-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;tris(2-methylpropane) has a molecular weight of 2516.41 g/mol, XLogP of 29.76, 31 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;4-[(2S,4R)-1-acetyl-2-methyl-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]benzoic acid;1-[(2S,4R)-4-anilino-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-4-[(4-fluoro-2-pyridinyl)amino]-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[1-[2-(methylamino)ethyl]pyrazol-4-yl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S,4R)-2-methyl-6-[4-(methylaminomethyl)phenyl]-4-(propan-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone;tris(2-methylpropane) is sourced from PubChem (CID 159403687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).