2-chloro-N-[8-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]quinolin-7-yl]pyridine-4-carboxamide

C29H26Cl2N4O — CID 76593183

About 2-chloro-N-[8-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]quinolin-7-yl]pyridine-4-carboxamide

2-chloro-N-[8-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]quinolin-7-yl]pyridine-4-carboxamide (PubChem CID 76593183) has the molecular formula C29H26Cl2N4O and a molecular weight of 517.46 g/mol. Its IUPAC name is 2-chloro-N-[8-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]quinolin-7-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-[8-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]quinolin-7-yl]pyridine-4-carboxamide
• PubChem CID: 76593183
• Molecular Formula: C29H26Cl2N4O
• Molecular Weight: 517.46 g/mol
• Exact Mass: 516.15
• IUPAC Name: 2-chloro-N-[8-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]quinolin-7-yl]pyridine-4-carboxamide
• SMILES: O=C(Nc1ccc2cccnc2c1C1CCN(CC=Cc2ccc(Cl)cc2)CC1)c1ccnc(Cl)c1
• InChI: InChI=1S/C29H26Cl2N4O/c30-24-8-5-20(6-9-24)3-2-16-35-17-12-21(13-18-35)27-25(10-7-22-4-1-14-33-28(22)27)34-29(36)23-11-15-32-26(31)19-23/h1-11,14-15,19,21H,12-13,16-18H2,(H,34,36)
• InChIKey: CNFPZPKPIVOLKA-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.46
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[8-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]quinolin-7-yl]pyridine-4-carboxamide?

The IUPAC name of 2-chloro-N-[8-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]quinolin-7-yl]pyridine-4-carboxamide (CID 76593183) is 2-chloro-N-[8-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]quinolin-7-yl]pyridine-4-carboxamide.

What is the SMILES notation for 2-chloro-N-[8-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]quinolin-7-yl]pyridine-4-carboxamide?

The canonical SMILES for 2-chloro-N-[8-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]quinolin-7-yl]pyridine-4-carboxamide is O=C(Nc1ccc2cccnc2c1C1CCN(CC=Cc2ccc(Cl)cc2)CC1)c1ccnc(Cl)c1.

What is the InChIKey of 2-chloro-N-[8-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]quinolin-7-yl]pyridine-4-carboxamide?

The InChIKey is CNFPZPKPIVOLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Cl2N4O/c30-24-8-5-20(6-9-24)3-2-16-35-17-12-21(13-18-35)27-25(10-7-22-4-1-14-33-28(22)27)34-29(36)23-11-15-32-26(31)19-23/h1-11,14-15,19,21H,12-13,16-18H2,(H,34,36).

What are the key properties of 2-chloro-N-[8-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]quinolin-7-yl]pyridine-4-carboxamide?

2-chloro-N-[8-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]quinolin-7-yl]pyridine-4-carboxamide has a molecular weight of 517.46 g/mol, XLogP of 7.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[8-[1-[3-(4-chlorophenyl)prop-2-enyl]piperidin-4-yl]quinolin-7-yl]pyridine-4-carboxamide is sourced from PubChem (CID 76593183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).