(3S)-2-[4-(cyclopentylamino)phenyl]-N-(3-ethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-hydroxy-3-methylphenyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-(3-hydroxy-3-methylbutyl)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)-2-[4-(oxan-4-ylamino)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide

C148H150F7N11O11 — CID 163525594

About (3S)-2-[4-(cyclopentylamino)phenyl]-N-(3-ethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-hydroxy-3-methylphenyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-(3-hydroxy-3-methylbutyl)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)-2-[4-(oxan-4-ylamino)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide

(3S)-2-[4-(cyclopentylamino)phenyl]-N-(3-ethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-hydroxy-3-methylphenyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-(3-hydroxy-3-methylbutyl)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)-2-[4-(oxan-4-ylamino)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide (PubChem CID 163525594) has the molecular formula C148H150F7N11O11 and a molecular weight of 2391.88 g/mol. Its IUPAC name is (3S)-2-[4-(cyclopentylamino)phenyl]-N-(3-ethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-hydroxy-3-methylphenyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-(3-hydroxy-3-methylbutyl)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)-2-[4-(oxan-4-ylamino)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-2-[4-(cyclopentylamino)phenyl]-N-(3-ethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-hydroxy-3-methylphenyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-(3-hydroxy-3-methylbutyl)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)-2-[4-(oxan-4-ylamino)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide
• PubChem CID: 163525594
• Molecular Formula: C148H150F7N11O11
• Molecular Weight: 2391.88 g/mol
• Exact Mass: 2390.14
• IUPAC Name: (3S)-2-[4-(cyclopentylamino)phenyl]-N-(3-ethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-hydroxy-3-methylphenyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-(3-hydroxy-3-methylbutyl)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)-2-[4-(oxan-4-ylamino)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide
• SMILES: CCc1ccc(NC(=O)[C@H]2Cc3ccccc3N(C(=O)c3c(C)cccc3F)C2c2ccc(NC3CCOCC3)cc2)cc1C(F)(F)F.CCc1cccc(NC(=O)[C@H]2Cc3ccccc3N(C(=O)c3c(C)cccc3F)C2c2ccc(NC3CCCC3)cc2)c1.Cc1cc(NC(=O)[C@H]2Cc3ccccc3N(C(=O)c3c(C)cccc3F)C2c2ccc(NC3CCCC3)cc2)ccc1O.Cc1ccc(NC(=O)[C@H]2Cc3ccccc3N(C(=O)c3c(C)cccc3F)C2c2ccc(CCC(C)(C)O)cc2)cc1C
• InChI: InChI=1S/C38H37F4N3O3.C37H38FN3O2.C37H39FN2O3.C36H36FN3O3/c1-3-24-11-16-29(22-31(24)38(40,41)42)44-36(46)30-21-26-8-4-5-10-33(26)45(37(47)34-23(2)7-6-9-32(34)39)35(30)25-12-14-27(15-13-25)43-28-17-19-48-20-18-28;1-3-25-11-9-15-30(22-25)40-36(42)31-23-27-12-4-7-17-33(27)41(37(43)34-24(2)10-8-16-32(34)38)35(31)26-18-20-29(21-19-26)39-28-13-5-6-14-28;1-23-13-18-29(21-25(23)3)39-35(41)30-22-28-10-6-7-12-32(28)40(36(42)33-24(2)9-8-11-31(33)38)34(30)27-16-14-26(15-17-27)19-20-37(4,5)43;1-22-8-7-12-30(37)33(22)36(43)40-31-13-6-3-9-25(31)21-29(35(42)39-28-18-19-32(41)23(2)20-28)34(40)24-14-16-27(17-15-24)38-26-10-4-5-11-26/h4-16,22,28,30,35,43H,3,17-21H2,1-2H3,(H,44,46);4,7-12,15-22,28,31,35,39H,3,5-6,13-14,23H2,1-2H3,(H,40,42);6-18,21,30,34,43H,19-20,22H2,1-5H3,(H,39,41);3,6-9,12-20,26,29,34,38,41H,4-5,10-11,21H2,1-2H3,(H,39,42)/t30-,35?;31-,35?;30-,34?;29-,34?/m0000/s1
• InChIKey: DOMJICCFRPZOLK-FAXXCZKKSA-N
• XLogP: 32.11
• TPSA: 283.42 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 14
• Rotatable Bonds: 27
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2391.88
LogP ≤ 5	32.11
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S)-2-[4-(cyclopentylamino)phenyl]-N-(3-ethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-hydroxy-3-methylphenyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-(3-hydroxy-3-methylbutyl)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)-2-[4-(oxan-4-ylamino)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide?

The IUPAC name of (3S)-2-[4-(cyclopentylamino)phenyl]-N-(3-ethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-hydroxy-3-methylphenyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-(3-hydroxy-3-methylbutyl)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)-2-[4-(oxan-4-ylamino)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide (CID 163525594) is (3S)-2-[4-(cyclopentylamino)phenyl]-N-(3-ethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-hydroxy-3-methylphenyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-(3-hydroxy-3-methylbutyl)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)-2-[4-(oxan-4-ylamino)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide.

What is the SMILES notation for (3S)-2-[4-(cyclopentylamino)phenyl]-N-(3-ethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-hydroxy-3-methylphenyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-(3-hydroxy-3-methylbutyl)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)-2-[4-(oxan-4-ylamino)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide?

The canonical SMILES for (3S)-2-[4-(cyclopentylamino)phenyl]-N-(3-ethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-hydroxy-3-methylphenyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-(3-hydroxy-3-methylbutyl)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)-2-[4-(oxan-4-ylamino)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide is CCc1ccc(NC(=O)[C@H]2Cc3ccccc3N(C(=O)c3c(C)cccc3F)C2c2ccc(NC3CCOCC3)cc2)cc1C(F)(F)F.CCc1cccc(NC(=O)[C@H]2Cc3ccccc3N(C(=O)c3c(C)cccc3F)C2c2ccc(NC3CCCC3)cc2)c1.Cc1cc(NC(=O)[C@H]2Cc3ccccc3N(C(=O)c3c(C)cccc3F)C2c2ccc(NC3CCCC3)cc2)ccc1O.Cc1ccc(NC(=O)[C@H]2Cc3ccccc3N(C(=O)c3c(C)cccc3F)C2c2ccc(CCC(C)(C)O)cc2)cc1C.

What is the InChIKey of (3S)-2-[4-(cyclopentylamino)phenyl]-N-(3-ethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-hydroxy-3-methylphenyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-(3-hydroxy-3-methylbutyl)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)-2-[4-(oxan-4-ylamino)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide?

The InChIKey is DOMJICCFRPZOLK-FAXXCZKKSA-N. The full InChI is InChI=1S/C38H37F4N3O3.C37H38FN3O2.C37H39FN2O3.C36H36FN3O3/c1-3-24-11-16-29(22-31(24)38(40,41)42)44-36(46)30-21-26-8-4-5-10-33(26)45(37(47)34-23(2)7-6-9-32(34)39)35(30)25-12-14-27(15-13-25)43-28-17-19-48-20-18-28;1-3-25-11-9-15-30(22-25)40-36(42)31-23-27-12-4-7-17-33(27)41(37(43)34-24(2)10-8-16-32(34)38)35(31)26-18-20-29(21-19-26)39-28-13-5-6-14-28;1-23-13-18-29(21-25(23)3)39-35(41)30-22-28-10-6-7-12-32(28)40(36(42)33-24(2)9-8-11-31(33)38)34(30)27-16-14-26(15-17-27)19-20-37(4,5)43;1-22-8-7-12-30(37)33(22)36(43)40-31-13-6-3-9-25(31)21-29(35(42)39-28-18-19-32(41)23(2)20-28)34(40)24-14-16-27(17-15-24)38-26-10-4-5-11-26/h4-16,22,28,30,35,43H,3,17-21H2,1-2H3,(H,44,46);4,7-12,15-22,28,31,35,39H,3,5-6,13-14,23H2,1-2H3,(H,40,42);6-18,21,30,34,43H,19-20,22H2,1-5H3,(H,39,41);3,6-9,12-20,26,29,34,38,41H,4-5,10-11,21H2,1-2H3,(H,39,42)/t30-,35?;31-,35?;30-,34?;29-,34?/m0000/s1.

What are the key properties of (3S)-2-[4-(cyclopentylamino)phenyl]-N-(3-ethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-hydroxy-3-methylphenyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-(3-hydroxy-3-methylbutyl)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)-2-[4-(oxan-4-ylamino)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide?

(3S)-2-[4-(cyclopentylamino)phenyl]-N-(3-ethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-hydroxy-3-methylphenyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-(3-hydroxy-3-methylbutyl)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)-2-[4-(oxan-4-ylamino)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide has a molecular weight of 2391.88 g/mol, XLogP of 32.11, 27 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-2-[4-(cyclopentylamino)phenyl]-N-(3-ethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-hydroxy-3-methylphenyl)-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-(3-hydroxy-3-methylbutyl)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide;(3S)-N-[4-ethyl-3-(trifluoromethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)-2-[4-(oxan-4-ylamino)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide is sourced from PubChem (CID 163525594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).