N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-fluoro-N-(3-methylbutyl)benzamide

C30H32FN3O2 — CID 3380806

About N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-fluoro-N-(3-methylbutyl)benzamide

N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-fluoro-N-(3-methylbutyl)benzamide (PubChem CID 3380806) has the molecular formula C30H32FN3O2 and a molecular weight of 485.60 g/mol. Its IUPAC name is N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-fluoro-N-(3-methylbutyl)benzamide.

Molecular Properties

• Compound Name: N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-fluoro-N-(3-methylbutyl)benzamide
• PubChem CID: 3380806
• Molecular Formula: C30H32FN3O2
• Molecular Weight: 485.60 g/mol
• Exact Mass: 485.25
• IUPAC Name: N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-fluoro-N-(3-methylbutyl)benzamide
• SMILES: Cc1ccc(-n2c(C(C)N(CCC(C)C)C(=O)c3cccc(F)c3)nc3ccccc3c2=O)cc1C
• InChI: InChI=1S/C30H32FN3O2/c1-19(2)15-16-33(29(35)23-9-8-10-24(31)18-23)22(5)28-32-27-12-7-6-11-26(27)30(36)34(28)25-14-13-20(3)21(4)17-25/h6-14,17-19,22H,15-16H2,1-5H3
• InChIKey: NAXCGFFGWIRQCB-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 55.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.60
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-fluoro-N-(3-methylbutyl)benzamide?

The IUPAC name of N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-fluoro-N-(3-methylbutyl)benzamide (CID 3380806) is N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-fluoro-N-(3-methylbutyl)benzamide.

What is the SMILES notation for N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-fluoro-N-(3-methylbutyl)benzamide?

The canonical SMILES for N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-fluoro-N-(3-methylbutyl)benzamide is Cc1ccc(-n2c(C(C)N(CCC(C)C)C(=O)c3cccc(F)c3)nc3ccccc3c2=O)cc1C.

What is the InChIKey of N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-fluoro-N-(3-methylbutyl)benzamide?

The InChIKey is NAXCGFFGWIRQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN3O2/c1-19(2)15-16-33(29(35)23-9-8-10-24(31)18-23)22(5)28-32-27-12-7-6-11-26(27)30(36)34(28)25-14-13-20(3)21(4)17-25/h6-14,17-19,22H,15-16H2,1-5H3.

What are the key properties of N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-fluoro-N-(3-methylbutyl)benzamide?

N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-fluoro-N-(3-methylbutyl)benzamide has a molecular weight of 485.60 g/mol, XLogP of 6.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-fluoro-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 3380806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).