N-benzyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]naphthalene-2-carboxamide

C37H33N3O2 — CID 5227003

About N-benzyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]naphthalene-2-carboxamide

N-benzyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]naphthalene-2-carboxamide (PubChem CID 5227003) has the molecular formula C37H33N3O2 and a molecular weight of 551.69 g/mol. Its IUPAC name is N-benzyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]naphthalene-2-carboxamide
• PubChem CID: 5227003
• Molecular Formula: C37H33N3O2
• Molecular Weight: 551.69 g/mol
• Exact Mass: 551.26
• IUPAC Name: N-benzyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]naphthalene-2-carboxamide
• SMILES: CCC(c1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1)N(Cc1ccccc1)C(=O)c1ccc2ccccc2c1
• InChI: InChI=1S/C37H33N3O2/c1-4-34(35-38-33-17-11-10-16-32(33)37(42)40(35)31-21-18-25(2)26(3)22-31)39(24-27-12-6-5-7-13-27)36(41)30-20-19-28-14-8-9-15-29(28)23-30/h5-23,34H,4,24H2,1-3H3
• InChIKey: OEZBKVBSOCKULP-UHFFFAOYSA-N
• XLogP: 7.95
• TPSA: 55.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.69
LogP ≤ 5	7.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]naphthalene-2-carboxamide?

The IUPAC name of N-benzyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]naphthalene-2-carboxamide (CID 5227003) is N-benzyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]naphthalene-2-carboxamide.

What is the SMILES notation for N-benzyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]naphthalene-2-carboxamide?

The canonical SMILES for N-benzyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]naphthalene-2-carboxamide is CCC(c1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1)N(Cc1ccccc1)C(=O)c1ccc2ccccc2c1.

What is the InChIKey of N-benzyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]naphthalene-2-carboxamide?

The InChIKey is OEZBKVBSOCKULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33N3O2/c1-4-34(35-38-33-17-11-10-16-32(33)37(42)40(35)31-21-18-25(2)26(3)22-31)39(24-27-12-6-5-7-13-27)36(41)30-20-19-28-14-8-9-15-29(28)23-30/h5-23,34H,4,24H2,1-3H3.

What are the key properties of N-benzyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]naphthalene-2-carboxamide?

N-benzyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]naphthalene-2-carboxamide has a molecular weight of 551.69 g/mol, XLogP of 7.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]naphthalene-2-carboxamide is sourced from PubChem (CID 5227003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).