N-butyl-2-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide

C29H31N3O2 — CID 42716311

IUPACN-butyl-2-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide
SMILESCCCCN(C(=O)c1ccccc1C)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C29H31N3O2/c1-4-6-20-31(28(33)23-17-11-10-14-21(23)3)26(5-2)27-30-25-19-13-12-18-24(25)29(34)32(27)22-15-8-7-9-16-22/h7-19,26H,4-6,20H2,1-3H3
InChIKeyUKDWHLFOCIYGJT-UHFFFAOYSA-N
MW453.59 g/mol
LogP6.09
Rot. Bonds8

About N-butyl-2-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide

N-butyl-2-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide (PubChem CID 42716311) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is N-butyl-2-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide.

Molecular Properties

Compound NameN-butyl-2-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide
PubChem CID42716311
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC NameN-butyl-2-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide
SMILESCCCCN(C(=O)c1ccccc1C)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C29H31N3O2/c1-4-6-20-31(28(33)23-17-11-10-14-21(23)3)26(5-2)27-30-25-19-13-12-18-24(25)29(34)32(27)22-15-8-7-9-16-22/h7-19,26H,4-6,20H2,1-3H3
InChIKeyUKDWHLFOCIYGJT-UHFFFAOYSA-N
XLogP6.09
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyl-2-methylbenzamide
CID 42718906
N-hexyl-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylbenzamide
CID 4545425
N-(3-methoxypropyl)-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42727633
2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide
CID 42716285
1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
CID 42716190
N-[2-(dimethylamino)ethyl]-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42657555
3-bromo-N-butyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide
CID 42716312
2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexylbenzamide
CID 4029648
N-butyl-2-methyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42718979
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methyl-N-propylbenzamide
CID 42723055
N-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide
CID 42711871
N-butyl-4-fluoro-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 3397481

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide?
The IUPAC name of N-butyl-2-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide (CID 42716311) is N-butyl-2-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide.
What is the SMILES notation for N-butyl-2-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide?
The canonical SMILES for N-butyl-2-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide is CCCCN(C(=O)c1ccccc1C)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of N-butyl-2-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide?
The InChIKey is UKDWHLFOCIYGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2/c1-4-6-20-31(28(33)23-17-11-10-14-21(23)3)26(5-2)27-30-25-19-13-12-18-24(25)29(34)32(27)22-15-8-7-9-16-22/h7-19,26H,4-6,20H2,1-3H3.
What are the key properties of N-butyl-2-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide?
N-butyl-2-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide has a molecular weight of 453.59 g/mol, XLogP of 6.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide is sourced from PubChem (CID 42716311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).