6-[6-(4-chloroquinolin-6-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

C35H24ClFN4O2S — CID 130249236

About 6-[6-(4-chloroquinolin-6-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

6-[6-(4-chloroquinolin-6-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (PubChem CID 130249236) has the molecular formula C35H24ClFN4O2S and a molecular weight of 619.12 g/mol. Its IUPAC name is 6-[6-(4-chloroquinolin-6-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[6-(4-chloroquinolin-6-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
• PubChem CID: 130249236
• Molecular Formula: C35H24ClFN4O2S
• Molecular Weight: 619.12 g/mol
• Exact Mass: 618.13
• IUPAC Name: 6-[6-(4-chloroquinolin-6-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
• SMILES: Cc1cccc(F)c1NC(=O)c1cc2c(s1)-c1ccccc1N(C(=O)c1cccc(-c3ccc4nccc(Cl)c4c3)n1)CC2
• InChI: InChI=1S/C35H24ClFN4O2S/c1-20-6-4-8-26(37)32(20)40-34(42)31-19-22-15-17-41(30-11-3-2-7-23(30)33(22)44-31)35(43)29-10-5-9-27(39-29)21-12-13-28-24(18-21)25(36)14-16-38-28/h2-14,16,18-19H,15,17H2,1H3,(H,40,42)
• InChIKey: NWKJVOAYANDJFI-UHFFFAOYSA-N
• XLogP: 8.58
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.12
LogP ≤ 5	8.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-chloroquinolin-6-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?

The IUPAC name of 6-[6-(4-chloroquinolin-6-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (CID 130249236) is 6-[6-(4-chloroquinolin-6-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide.

What is the SMILES notation for 6-[6-(4-chloroquinolin-6-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?

The canonical SMILES for 6-[6-(4-chloroquinolin-6-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide is Cc1cccc(F)c1NC(=O)c1cc2c(s1)-c1ccccc1N(C(=O)c1cccc(-c3ccc4nccc(Cl)c4c3)n1)CC2.

What is the InChIKey of 6-[6-(4-chloroquinolin-6-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?

The InChIKey is NWKJVOAYANDJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24ClFN4O2S/c1-20-6-4-8-26(37)32(20)40-34(42)31-19-22-15-17-41(30-11-3-2-7-23(30)33(22)44-31)35(43)29-10-5-9-27(39-29)21-12-13-28-24(18-21)25(36)14-16-38-28/h2-14,16,18-19H,15,17H2,1H3,(H,40,42).

What are the key properties of 6-[6-(4-chloroquinolin-6-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?

6-[6-(4-chloroquinolin-6-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide has a molecular weight of 619.12 g/mol, XLogP of 8.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-(4-chloroquinolin-6-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide is sourced from PubChem (CID 130249236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).