(4R,7S)-4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C29H27N3O3 — CID 1021038

About (4R,7S)-4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

(4R,7S)-4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 1021038) has the molecular formula C29H27N3O3 and a molecular weight of 465.55 g/mol. Its IUPAC name is (4R,7S)-4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: (4R,7S)-4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• PubChem CID: 1021038
• Molecular Formula: C29H27N3O3
• Molecular Weight: 465.55 g/mol
• Exact Mass: 465.21
• IUPAC Name: (4R,7S)-4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• SMILES: COc1cccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1
• InChI: InChI=1S/C29H27N3O3/c1-18-26(29(34)32-25-13-6-7-14-30-25)27(20-11-8-12-22(15-20)35-2)28-23(31-18)16-21(17-24(28)33)19-9-4-3-5-10-19/h3-15,21,27,31H,16-17H2,1-2H3,(H,30,32,34)/t21-,27-/m0/s1
• InChIKey: RVSVIMCBUBREHN-IDISGSTGSA-N
• XLogP: 5.09
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.55
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4R,7S)-4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The IUPAC name of (4R,7S)-4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 1021038) is (4R,7S)-4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

What is the SMILES notation for (4R,7S)-4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The canonical SMILES for (4R,7S)-4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is COc1cccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1.

What is the InChIKey of (4R,7S)-4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The InChIKey is RVSVIMCBUBREHN-IDISGSTGSA-N. The full InChI is InChI=1S/C29H27N3O3/c1-18-26(29(34)32-25-13-6-7-14-30-25)27(20-11-8-12-22(15-20)35-2)28-23(31-18)16-21(17-24(28)33)19-9-4-3-5-10-19/h3-15,21,27,31H,16-17H2,1-2H3,(H,30,32,34)/t21-,27-/m0/s1.

What are the key properties of (4R,7S)-4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

(4R,7S)-4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,7S)-4-(3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 1021038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).