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

C16H13N3O2 — CID 137125323

IUPACN-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C16H13N3O2/c1-10(20)17-12-6-4-5-11(9-12)15-18-14-8-3-2-7-13(14)16(21)19-15/h2-9H,1H3,(H,17,20)(H,18,19,21)
InChIKeyHGMCLHMXCWRICA-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.55
Rot. Bonds2

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

N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide (PubChem CID 137125323) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
PubChem CID137125323
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C16H13N3O2/c1-10(20)17-12-6-4-5-11(9-12)15-18-14-8-3-2-7-13(14)16(21)19-15/h2-9H,1H3,(H,17,20)(H,18,19,21)
InChIKeyHGMCLHMXCWRICA-UHFFFAOYSA-N
XLogP2.55
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]benzoate
CID 168552709
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579
2-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide
CID 142520450
2-(3-pyrimidin-2-ylphenyl)-3H-quinazolin-4-one
CID 168553073
6-acetyl-2-phenyl-3H-quinazolin-4-one
CID 137082893
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
methyl 4-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 135476431
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445
methyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 168550749
2-(3-thiophen-2-ylphenyl)-3H-quinazolin-4-one
CID 168551596
2-[3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]phenyl]acetic acid
CID 168551369

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide?
The IUPAC name of N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide (CID 137125323) is N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide is CC(=O)Nc1cccc(-c2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide?
The InChIKey is HGMCLHMXCWRICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-10(20)17-12-6-4-5-11(9-12)15-18-14-8-3-2-7-13(14)16(21)19-15/h2-9H,1H3,(H,17,20)(H,18,19,21).
What are the key properties of N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide?
N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide has a molecular weight of 279.30 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide is sourced from PubChem (CID 137125323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).