N-(6-aminohexyl)-N-[(1R)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide

C30H36N4O3 — CID 93105333

About N-(6-aminohexyl)-N-[(1R)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide

N-(6-aminohexyl)-N-[(1R)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide (PubChem CID 93105333) has the molecular formula C30H36N4O3 and a molecular weight of 500.64 g/mol. Its IUPAC name is N-(6-aminohexyl)-N-[(1R)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-(6-aminohexyl)-N-[(1R)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide
• PubChem CID: 93105333
• Molecular Formula: C30H36N4O3
• Molecular Weight: 500.64 g/mol
• Exact Mass: 500.28
• IUPAC Name: N-(6-aminohexyl)-N-[(1R)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide
• SMILES: COCCn1c([C@@H](C)N(CCCCCCN)C(=O)c2cccc3ccccc23)nc2ccccc2c1=O
• InChI: InChI=1S/C30H36N4O3/c1-22(28-32-27-17-8-7-15-26(27)30(36)34(28)20-21-37-2)33(19-10-4-3-9-18-31)29(35)25-16-11-13-23-12-5-6-14-24(23)25/h5-8,11-17,22H,3-4,9-10,18-21,31H2,1-2H3/t22-/m1/s1
• InChIKey: LECVSYRPFHNWOM-JOCHJYFZSA-N
• XLogP: 4.92
• TPSA: 90.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.64
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-N-[(1R)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide?

The IUPAC name of N-(6-aminohexyl)-N-[(1R)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide (CID 93105333) is N-(6-aminohexyl)-N-[(1R)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide.

What is the SMILES notation for N-(6-aminohexyl)-N-[(1R)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide?

The canonical SMILES for N-(6-aminohexyl)-N-[(1R)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide is COCCn1c([C@@H](C)N(CCCCCCN)C(=O)c2cccc3ccccc23)nc2ccccc2c1=O.

What is the InChIKey of N-(6-aminohexyl)-N-[(1R)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide?

The InChIKey is LECVSYRPFHNWOM-JOCHJYFZSA-N. The full InChI is InChI=1S/C30H36N4O3/c1-22(28-32-27-17-8-7-15-26(27)30(36)34(28)20-21-37-2)33(19-10-4-3-9-18-31)29(35)25-16-11-13-23-12-5-6-14-24(23)25/h5-8,11-17,22H,3-4,9-10,18-21,31H2,1-2H3/t22-/m1/s1.

What are the key properties of N-(6-aminohexyl)-N-[(1R)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide?

N-(6-aminohexyl)-N-[(1R)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide has a molecular weight of 500.64 g/mol, XLogP of 4.92, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-aminohexyl)-N-[(1R)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 93105333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).