N-(3-acetamidophenyl)-2-oxo-1H-quinazoline-4-carboxamide

C17H14N4O3 — CID 110702604

IUPACN-(3-acetamidophenyl)-2-oxo-1H-quinazoline-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2nc(=O)[nH]c3ccccc23)c1
InChIInChI=1S/C17H14N4O3/c1-10(22)18-11-5-4-6-12(9-11)19-16(23)15-13-7-2-3-8-14(13)20-17(24)21-15/h2-9H,1H3,(H,18,22)(H,19,23)(H,20,21,24)
InChIKeyDMADDGMMBMCTFY-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.13
Rot. Bonds3

About N-(3-acetamidophenyl)-2-oxo-1H-quinazoline-4-carboxamide

N-(3-acetamidophenyl)-2-oxo-1H-quinazoline-4-carboxamide (PubChem CID 110702604) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-oxo-1H-quinazoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-oxo-1H-quinazoline-4-carboxamide
PubChem CID110702604
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC NameN-(3-acetamidophenyl)-2-oxo-1H-quinazoline-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2nc(=O)[nH]c3ccccc23)c1
InChIInChI=1S/C17H14N4O3/c1-10(22)18-11-5-4-6-12(9-11)19-16(23)15-13-7-2-3-8-14(13)20-17(24)21-15/h2-9H,1H3,(H,18,22)(H,19,23)(H,20,21,24)
InChIKeyDMADDGMMBMCTFY-UHFFFAOYSA-N
XLogP2.13
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-oxo-1H-quinazoline-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-2-oxo-1H-quinazoline-4-carboxamide (CID 110702604) is N-(3-acetamidophenyl)-2-oxo-1H-quinazoline-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-oxo-1H-quinazoline-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-oxo-1H-quinazoline-4-carboxamide is CC(=O)Nc1cccc(NC(=O)c2nc(=O)[nH]c3ccccc23)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-oxo-1H-quinazoline-4-carboxamide?
The InChIKey is DMADDGMMBMCTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-10(22)18-11-5-4-6-12(9-11)19-16(23)15-13-7-2-3-8-14(13)20-17(24)21-15/h2-9H,1H3,(H,18,22)(H,19,23)(H,20,21,24).
What are the key properties of N-(3-acetamidophenyl)-2-oxo-1H-quinazoline-4-carboxamide?
N-(3-acetamidophenyl)-2-oxo-1H-quinazoline-4-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-oxo-1H-quinazoline-4-carboxamide is sourced from PubChem (CID 110702604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).