N-(2-methoxyphenyl)-4-oxo-3H-quinazoline-2-carboxamide

C16H13N3O3 — CID 137108213

IUPACN-(2-methoxyphenyl)-4-oxo-3H-quinazoline-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H13N3O3/c1-22-13-9-5-4-8-12(13)18-16(21)14-17-11-7-3-2-6-10(11)15(20)19-14/h2-9H,1H3,(H,18,21)(H,17,19,20)
InChIKeyRJXGVKYZOSAZNG-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.18
Rot. Bonds3

About N-(2-methoxyphenyl)-4-oxo-3H-quinazoline-2-carboxamide

N-(2-methoxyphenyl)-4-oxo-3H-quinazoline-2-carboxamide (PubChem CID 137108213) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-oxo-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-oxo-3H-quinazoline-2-carboxamide
PubChem CID137108213
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-(2-methoxyphenyl)-4-oxo-3H-quinazoline-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H13N3O3/c1-22-13-9-5-4-8-12(13)18-16(21)14-17-11-7-3-2-6-10(11)15(20)19-14/h2-9H,1H3,(H,18,21)(H,17,19,20)
InChIKeyRJXGVKYZOSAZNG-UHFFFAOYSA-N
XLogP2.18
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
CID 135794299
N-(2,3-dichlorophenyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 137108208
N-(2-methoxyphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135518456
N-(2-methoxyanilino)-4-oxo-3H-quinazoline-2-carboximidoyl cyanide
CID 135445811
[2-(2-methoxyanilino)-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809401
N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136782968
N-(2-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 110702587
N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135638515
N-(2-methoxyphenyl)-7-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498810
3-methoxy-N-(2-methoxyphenyl)quinoline-4-carboxamide
CID 110859914
4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide
CID 135653744
3-(2-methoxyphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-(thiophen-2-ylmethyl)urea
CID 135429181

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-oxo-3H-quinazoline-2-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-oxo-3H-quinazoline-2-carboxamide (CID 137108213) is N-(2-methoxyphenyl)-4-oxo-3H-quinazoline-2-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-oxo-3H-quinazoline-2-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-oxo-3H-quinazoline-2-carboxamide is COc1ccccc1NC(=O)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-(2-methoxyphenyl)-4-oxo-3H-quinazoline-2-carboxamide?
The InChIKey is RJXGVKYZOSAZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-13-9-5-4-8-12(13)18-16(21)14-17-11-7-3-2-6-10(11)15(20)19-14/h2-9H,1H3,(H,18,21)(H,17,19,20).
What are the key properties of N-(2-methoxyphenyl)-4-oxo-3H-quinazoline-2-carboxamide?
N-(2-methoxyphenyl)-4-oxo-3H-quinazoline-2-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-oxo-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 137108213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).