4-oxo-N-phenyl-3H-quinazoline-2-carboxamide

C15H11N3O2 — CID 135794299

IUPAC4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H11N3O2/c19-14-11-8-4-5-9-12(11)17-13(18-14)15(20)16-10-6-2-1-3-7-10/h1-9H,(H,16,20)(H,17,18,19)
InChIKeyYYBWLFCCHNKWAK-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.18
Rot. Bonds2

About 4-oxo-N-phenyl-3H-quinazoline-2-carboxamide

4-oxo-N-phenyl-3H-quinazoline-2-carboxamide (PubChem CID 135794299) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-oxo-N-phenyl-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
PubChem CID135794299
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H11N3O2/c19-14-11-8-4-5-9-12(11)17-13(18-14)15(20)16-10-6-2-1-3-7-10/h1-9H,(H,16,20)(H,17,18,19)
InChIKeyYYBWLFCCHNKWAK-UHFFFAOYSA-N
XLogP2.18
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dichlorophenyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 137108208
N-(2-methoxyphenyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 137108213
N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135629189
4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide
CID 135653744
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658789
N-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136759238
N-(benzylideneamino)-4-oxo-3H-quinazoline-2-carboxamide
CID 135449642
1-(4-oxo-3H-quinazolin-2-yl)-3-phenylthiourea
CID 136646624
4-oxo-N-(pyridin-2-ylmethyl)-3H-quinazoline-2-carboxamide
CID 135654390
2-(1-bromoethenyl)-3H-quinazolin-4-one
CID 136903471
2-(1-chloroethenyl)-3H-quinazolin-4-one
CID 136903470
2-(4-oxo-3H-quinazolin-2-yl)-1-phenylguanidine
CID 135994268

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-phenyl-3H-quinazoline-2-carboxamide?
The IUPAC name of 4-oxo-N-phenyl-3H-quinazoline-2-carboxamide (CID 135794299) is 4-oxo-N-phenyl-3H-quinazoline-2-carboxamide.
What is the SMILES notation for 4-oxo-N-phenyl-3H-quinazoline-2-carboxamide?
The canonical SMILES for 4-oxo-N-phenyl-3H-quinazoline-2-carboxamide is O=C(Nc1ccccc1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 4-oxo-N-phenyl-3H-quinazoline-2-carboxamide?
The InChIKey is YYBWLFCCHNKWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-14-11-8-4-5-9-12(11)17-13(18-14)15(20)16-10-6-2-1-3-7-10/h1-9H,(H,16,20)(H,17,18,19).
What are the key properties of 4-oxo-N-phenyl-3H-quinazoline-2-carboxamide?
4-oxo-N-phenyl-3H-quinazoline-2-carboxamide has a molecular weight of 265.27 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-phenyl-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 135794299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).