N-hydroxy-2-[4-[2-[4-(5-hydroxypentyl)phenyl]ethyl]phenyl]-3-methoxy-6-methylquinoline-4-carboxamide

C31H34N2O4 — CID 145465486

About N-hydroxy-2-[4-[2-[4-(5-hydroxypentyl)phenyl]ethyl]phenyl]-3-methoxy-6-methylquinoline-4-carboxamide

N-hydroxy-2-[4-[2-[4-(5-hydroxypentyl)phenyl]ethyl]phenyl]-3-methoxy-6-methylquinoline-4-carboxamide (PubChem CID 145465486) has the molecular formula C31H34N2O4 and a molecular weight of 498.62 g/mol. Its IUPAC name is N-hydroxy-2-[4-[2-[4-(5-hydroxypentyl)phenyl]ethyl]phenyl]-3-methoxy-6-methylquinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-2-[4-[2-[4-(5-hydroxypentyl)phenyl]ethyl]phenyl]-3-methoxy-6-methylquinoline-4-carboxamide
• PubChem CID: 145465486
• Molecular Formula: C31H34N2O4
• Molecular Weight: 498.62 g/mol
• Exact Mass: 498.25
• IUPAC Name: N-hydroxy-2-[4-[2-[4-(5-hydroxypentyl)phenyl]ethyl]phenyl]-3-methoxy-6-methylquinoline-4-carboxamide
• SMILES: COc1c(-c2ccc(CCc3ccc(CCCCCO)cc3)cc2)nc2ccc(C)cc2c1C(=O)NO
• InChI: InChI=1S/C31H34N2O4/c1-21-7-18-27-26(20-21)28(31(35)33-36)30(37-2)29(32-27)25-16-14-24(15-17-25)13-12-23-10-8-22(9-11-23)6-4-3-5-19-34/h7-11,14-18,20,34,36H,3-6,12-13,19H2,1-2H3,(H,33,35)
• InChIKey: JVBTYHBPYNZHRZ-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 91.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.62
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[2-[4-(5-hydroxypentyl)phenyl]ethyl]phenyl]-3-methoxy-6-methylquinoline-4-carboxamide?

The IUPAC name of N-hydroxy-2-[4-[2-[4-(5-hydroxypentyl)phenyl]ethyl]phenyl]-3-methoxy-6-methylquinoline-4-carboxamide (CID 145465486) is N-hydroxy-2-[4-[2-[4-(5-hydroxypentyl)phenyl]ethyl]phenyl]-3-methoxy-6-methylquinoline-4-carboxamide.

What is the SMILES notation for N-hydroxy-2-[4-[2-[4-(5-hydroxypentyl)phenyl]ethyl]phenyl]-3-methoxy-6-methylquinoline-4-carboxamide?

The canonical SMILES for N-hydroxy-2-[4-[2-[4-(5-hydroxypentyl)phenyl]ethyl]phenyl]-3-methoxy-6-methylquinoline-4-carboxamide is COc1c(-c2ccc(CCc3ccc(CCCCCO)cc3)cc2)nc2ccc(C)cc2c1C(=O)NO.

What is the InChIKey of N-hydroxy-2-[4-[2-[4-(5-hydroxypentyl)phenyl]ethyl]phenyl]-3-methoxy-6-methylquinoline-4-carboxamide?

The InChIKey is JVBTYHBPYNZHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O4/c1-21-7-18-27-26(20-21)28(31(35)33-36)30(37-2)29(32-27)25-16-14-24(15-17-25)13-12-23-10-8-22(9-11-23)6-4-3-5-19-34/h7-11,14-18,20,34,36H,3-6,12-13,19H2,1-2H3,(H,33,35).

What are the key properties of N-hydroxy-2-[4-[2-[4-(5-hydroxypentyl)phenyl]ethyl]phenyl]-3-methoxy-6-methylquinoline-4-carboxamide?

N-hydroxy-2-[4-[2-[4-(5-hydroxypentyl)phenyl]ethyl]phenyl]-3-methoxy-6-methylquinoline-4-carboxamide has a molecular weight of 498.62 g/mol, XLogP of 5.83, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-2-[4-[2-[4-(5-hydroxypentyl)phenyl]ethyl]phenyl]-3-methoxy-6-methylquinoline-4-carboxamide is sourced from PubChem (CID 145465486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).