(4R,7R)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C32H29F3N2O4 — CID 1023824

About (4R,7R)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

(4R,7R)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 1023824) has the molecular formula C32H29F3N2O4 and a molecular weight of 562.59 g/mol. Its IUPAC name is (4R,7R)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: (4R,7R)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• PubChem CID: 1023824
• Molecular Formula: C32H29F3N2O4
• Molecular Weight: 562.59 g/mol
• Exact Mass: 562.21
• IUPAC Name: (4R,7R)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• SMILES: COc1cccc([C@H]2C(C(=O)Nc3ccccc3C(F)(F)F)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1OC
• InChI: InChI=1S/C32H29F3N2O4/c1-18-27(31(39)37-23-14-8-7-13-22(23)32(33,34)35)28(21-12-9-15-26(40-2)30(21)41-3)29-24(36-18)16-20(17-25(29)38)19-10-5-4-6-11-19/h4-15,20,28,36H,16-17H2,1-3H3,(H,37,39)/t20-,28+/m1/s1
• InChIKey: GMRRHMKRKFFTPD-NGOKVRLYSA-N
• XLogP: 6.72
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.59
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4R,7R)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The IUPAC name of (4R,7R)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 1023824) is (4R,7R)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

What is the SMILES notation for (4R,7R)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The canonical SMILES for (4R,7R)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is COc1cccc([C@H]2C(C(=O)Nc3ccccc3C(F)(F)F)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1OC.

What is the InChIKey of (4R,7R)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The InChIKey is GMRRHMKRKFFTPD-NGOKVRLYSA-N. The full InChI is InChI=1S/C32H29F3N2O4/c1-18-27(31(39)37-23-14-8-7-13-22(23)32(33,34)35)28(21-12-9-15-26(40-2)30(21)41-3)29-24(36-18)16-20(17-25(29)38)19-10-5-4-6-11-19/h4-15,20,28,36H,16-17H2,1-3H3,(H,37,39)/t20-,28+/m1/s1.

What are the key properties of (4R,7R)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

(4R,7R)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 562.59 g/mol, XLogP of 6.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,7R)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 1023824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).