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

C19H19N3O2 — CID 142520450

IUPAC2-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide
SMILESCCC(C)C(=O)Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C19H19N3O2/c1-3-12(2)18(23)20-14-10-8-13(9-11-14)17-21-16-7-5-4-6-15(16)19(24)22-17/h4-12H,3H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyALYZBYLONYJKFK-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.57
Rot. Bonds4

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

2-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide (PubChem CID 142520450) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide
PubChem CID142520450
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide
SMILESCCC(C)C(=O)Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C19H19N3O2/c1-3-12(2)18(23)20-14-10-8-13(9-11-14)17-21-16-7-5-4-6-15(16)19(24)22-17/h4-12H,3H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyALYZBYLONYJKFK-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

(2R)-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]-2-phenylbutanamide
CID 136847891
4-chloro-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
CID 164517199
2-cyclopentyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
CID 167818077
N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
CID 137125323
methyl 4-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 135476431
2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pentanamide
CID 17359918
3-amino-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]pyrazine-2-carboxamide
CID 137425221
2-[4-(propan-2-yloxymethyl)phenyl]-3H-quinazolin-4-one
CID 168551161
2-[4-[1-(dimethylamino)ethyl]phenyl]-3H-quinazolin-4-one
CID 168550887
2-(4-tert-butylphenyl)-3H-quinazolin-4-one
CID 135443955
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbutanamide
CID 2966077
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide?
The IUPAC name of 2-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide (CID 142520450) is 2-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide.
What is the SMILES notation for 2-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide?
The canonical SMILES for 2-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide is CCC(C)C(=O)Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of 2-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide?
The InChIKey is ALYZBYLONYJKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-12(2)18(23)20-14-10-8-13(9-11-14)17-21-16-7-5-4-6-15(16)19(24)22-17/h4-12H,3H2,1-2H3,(H,20,23)(H,21,22,24).
What are the key properties of 2-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide?
2-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 2-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide is sourced from PubChem (CID 142520450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).