N-(2-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide

C16H13N3O3 — CID 110702587

IUPACN-(2-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1nc(=O)[nH]c2ccccc12
InChIInChI=1S/C16H13N3O3/c1-22-13-9-5-4-8-12(13)17-15(20)14-10-6-2-3-7-11(10)18-16(21)19-14/h2-9H,1H3,(H,17,20)(H,18,19,21)
InChIKeyXBPXDTNTFUBKLY-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.18
Rot. Bonds3

About N-(2-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide

N-(2-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide (PubChem CID 110702587) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide
PubChem CID110702587
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-(2-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1nc(=O)[nH]c2ccccc12
InChIInChI=1S/C16H13N3O3/c1-22-13-9-5-4-8-12(13)17-15(20)14-10-6-2-3-7-11(10)18-16(21)19-14/h2-9H,1H3,(H,17,20)(H,18,19,21)
InChIKeyXBPXDTNTFUBKLY-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

N-(2-fluorophenyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 110702579
N-(2-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 917217
N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204283
N-(3-acetamidophenyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 110702604
N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 110702552
N-(2-methoxyphenyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 137108213
4-(4-methoxybenzoyl)-1H-quinazolin-2-one
CID 134117292
N-(2-methoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691757
N-(2-methoxyphenyl)-1-methylindazole-3-carboxamide
CID 110859879
2-oxo-N-prop-2-enyl-1H-quinazoline-4-carboxamide
CID 110702484
N,3-bis(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 3490690
3-hydroxy-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 54860878

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide (CID 110702587) is N-(2-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide is COc1ccccc1NC(=O)c1nc(=O)[nH]c2ccccc12.
What is the InChIKey of N-(2-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide?
The InChIKey is XBPXDTNTFUBKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-13-9-5-4-8-12(13)17-15(20)14-10-6-2-3-7-11(10)18-16(21)19-14/h2-9H,1H3,(H,17,20)(H,18,19,21).
What are the key properties of N-(2-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide?
N-(2-methoxyphenyl)-2-oxo-1H-quinazoline-4-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)-2-oxo-1H-quinazoline-4-carboxamide is sourced from PubChem (CID 110702587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).