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

C27H25N3O3S — CID 51419266

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

(4R,7R)-4-(3-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 51419266) has the molecular formula C27H25N3O3S and a molecular weight of 471.58 g/mol. Its IUPAC name is (4R,7R)-4-(3-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: (4R,7R)-4-(3-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• PubChem CID: 51419266
• Molecular Formula: C27H25N3O3S
• Molecular Weight: 471.58 g/mol
• Exact Mass: 471.16
• IUPAC Name: (4R,7R)-4-(3-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-7-thiophen-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](c2cccs2)C3)c1
• InChI: InChI=1S/C27H25N3O3S/c1-16-24(27(32)30-23-10-3-4-11-28-23)25(17-7-5-8-19(13-17)33-2)26-20(29-16)14-18(15-21(26)31)22-9-6-12-34-22/h3-13,18,25,29H,14-15H2,1-2H3,(H,28,30,32)/t18-,25+/m1/s1
• InChIKey: CBNYGKVZZCSOBJ-CJAUYULYSA-N
• XLogP: 5.15
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.58
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (4R,7R)-4-(3-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 51419266) is (4R,7R)-4-(3-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

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

The canonical SMILES for (4R,7R)-4-(3-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-7-thiophen-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](c2cccs2)C3)c1.

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

The InChIKey is CBNYGKVZZCSOBJ-CJAUYULYSA-N. The full InChI is InChI=1S/C27H25N3O3S/c1-16-24(27(32)30-23-10-3-4-11-28-23)25(17-7-5-8-19(13-17)33-2)26-20(29-16)14-18(15-21(26)31)22-9-6-12-34-22/h3-13,18,25,29H,14-15H2,1-2H3,(H,28,30,32)/t18-,25+/m1/s1.

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

(4R,7R)-4-(3-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,7R)-4-(3-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 51419266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).