N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

C24H20ClN3OS — CID 108809739

About N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (PubChem CID 108809739) has the molecular formula C24H20ClN3OS and a molecular weight of 433.96 g/mol. Its IUPAC name is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

• Compound Name: N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
• PubChem CID: 108809739
• Molecular Formula: C24H20ClN3OS
• Molecular Weight: 433.96 g/mol
• Exact Mass: 433.10
• IUPAC Name: N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
• SMILES: O=C(NCc1csc(Cc2ccccc2)n1)c1c2c(nc3ccc(Cl)cc13)CCC2
• InChI: InChI=1S/C24H20ClN3OS/c25-16-9-10-21-19(12-16)23(18-7-4-8-20(18)28-21)24(29)26-13-17-14-30-22(27-17)11-15-5-2-1-3-6-15/h1-3,5-6,9-10,12,14H,4,7-8,11,13H2,(H,26,29)
• InChIKey: CHKULGPLYFDSJI-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.96
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?

The IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (CID 108809739) is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

What is the SMILES notation for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?

The canonical SMILES for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is O=C(NCc1csc(Cc2ccccc2)n1)c1c2c(nc3ccc(Cl)cc13)CCC2.

What is the InChIKey of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?

The InChIKey is CHKULGPLYFDSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3OS/c25-16-9-10-21-19(12-16)23(18-7-4-8-20(18)28-21)24(29)26-13-17-14-30-22(27-17)11-15-5-2-1-3-6-15/h1-3,5-6,9-10,12,14H,4,7-8,11,13H2,(H,26,29).

What are the key properties of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide has a molecular weight of 433.96 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 108809739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).