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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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).