3-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide

C19H19N3O2 — CID 135401345

IUPAC3-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C19H19N3O2/c1-12(2)11-17(23)20-14-9-7-13(8-10-14)18-21-16-6-4-3-5-15(16)19(24)22-18/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyIJWQZPJVSBDCPK-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.57
Rot. Bonds4

About 3-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide

3-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide (PubChem CID 135401345) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide
PubChem CID135401345
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C19H19N3O2/c1-12(2)11-17(23)20-14-9-7-13(8-10-14)18-21-16-6-4-3-5-15(16)19(24)22-18/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyIJWQZPJVSBDCPK-UHFFFAOYSA-N
XLogP3.57
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methaqualone
CID 6292
Afloqualone
CID 2040
2-Methyl-4(3H)-quinazolinone
CID 135400457
3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one
CID 63382
4(3H)-Quinazolinone, 2-methyl-3-(2-methylphenyl)-, hydrochloride (1:1)
CID 63196
3-(2-Ethylphenyl)-2-methyl-4(3H)-quinazolinone
CID 23914
2-Phenyl-4(3H)-Quinazolinone
CID 135400456
ME0328
CID 135566764
2-Amino-4',4''-bis(5-methyl-2-imidazolin-2-yl)terephthalanilide
CID 24650
3-Amino-2-phenyl-4(3H)-quinazolinone
CID 722876
3-Amino-2-(p-tolyl)quinazolin-4(3H)-one
CID 854350
Arborine
CID 63123

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide (CID 135401345) is 3-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide is CC(C)CC(=O)Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of 3-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide?
The InChIKey is IJWQZPJVSBDCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12(2)11-17(23)20-14-9-7-13(8-10-14)18-21-16-6-4-3-5-15(16)19(24)22-18/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22,24).
What are the key properties of 3-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide?
3-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide has a molecular weight of 321.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide is sourced from PubChem (CID 135401345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).