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

C16H13N3O2 — CID 24749599

IUPACN-(4-methylphenyl)-2-oxo-1H-quinazoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2nc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C16H13N3O2/c1-10-6-8-11(9-7-10)17-15(20)14-12-4-2-3-5-13(12)18-16(21)19-14/h2-9H,1H3,(H,17,20)(H,18,19,21)
InChIKeyGOPLEGLBKCFZGX-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.48
Rot. Bonds2

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

N-(4-methylphenyl)-2-oxo-1H-quinazoline-4-carboxamide (PubChem CID 24749599) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-oxo-1H-quinazoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-oxo-1H-quinazoline-4-carboxamide
PubChem CID24749599
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-(4-methylphenyl)-2-oxo-1H-quinazoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2nc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C16H13N3O2/c1-10-6-8-11(9-7-10)17-15(20)14-12-4-2-3-5-13(12)18-16(21)19-14/h2-9H,1H3,(H,17,20)(H,18,19,21)
InChIKeyGOPLEGLBKCFZGX-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-oxo-1H-quinazoline-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2-oxo-1H-quinazoline-4-carboxamide (CID 24749599) is N-(4-methylphenyl)-2-oxo-1H-quinazoline-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2-oxo-1H-quinazoline-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2-oxo-1H-quinazoline-4-carboxamide is Cc1ccc(NC(=O)c2nc(=O)[nH]c3ccccc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-oxo-1H-quinazoline-4-carboxamide?
The InChIKey is GOPLEGLBKCFZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-10-6-8-11(9-7-10)17-15(20)14-12-4-2-3-5-13(12)18-16(21)19-14/h2-9H,1H3,(H,17,20)(H,18,19,21).
What are the key properties of N-(4-methylphenyl)-2-oxo-1H-quinazoline-4-carboxamide?
N-(4-methylphenyl)-2-oxo-1H-quinazoline-4-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-oxo-1H-quinazoline-4-carboxamide is sourced from PubChem (CID 24749599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).