2-chloro-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide

C16H12ClN3O2 — CID 24750157

IUPAC2-chloro-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide
SMILESO=C(CCl)Nn1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C16H12ClN3O2/c17-10-14(21)19-20-15(11-6-2-1-3-7-11)18-13-9-5-4-8-12(13)16(20)22/h1-9H,10H2,(H,19,21)
InChIKeyXHHREVHLYJGXIK-UHFFFAOYSA-N
MW313.74 g/mol
LogP2.37
Rot. Bonds3

About 2-chloro-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide

2-chloro-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide (PubChem CID 24750157) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 2-chloro-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide
PubChem CID24750157
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name2-chloro-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide
SMILESO=C(CCl)Nn1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C16H12ClN3O2/c17-10-14(21)19-20-15(11-6-2-1-3-7-11)18-13-9-5-4-8-12(13)16(20)22/h1-9H,10H2,(H,19,21)
InChIKeyXHHREVHLYJGXIK-UHFFFAOYSA-N
XLogP2.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 23995928
N-(4-oxo-2-phenylquinazolin-3-yl)-2-piperazin-1-ylacetamide
CID 122208556
2-chloro-N-[(4-oxo-2-phenylquinazolin-3-yl)carbamothioyl]benzamide
CID 1213092
2-(2-butoxyethoxy)-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide
CID 11741395
N-(3-chlorophenyl)-2-[(4-oxo-2-phenylquinazolin-3-yl)amino]acetamide
CID 10386527
N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23932693
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]acetamide
CID 170732444
N-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 170732468
3-chloro-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23909571
N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]-4-ethylbenzamide
CID 23740001
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]pyridine-2-carboxamide
CID 170732450
N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-methylbenzamide
CID 23877246

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide?
The IUPAC name of 2-chloro-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide (CID 24750157) is 2-chloro-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide is O=C(CCl)Nn1c(-c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 2-chloro-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide?
The InChIKey is XHHREVHLYJGXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-10-14(21)19-20-15(11-6-2-1-3-7-11)18-13-9-5-4-8-12(13)16(20)22/h1-9H,10H2,(H,19,21).
What are the key properties of 2-chloro-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide?
2-chloro-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide has a molecular weight of 313.74 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-oxo-2-phenylquinazolin-3-yl)acetamide is sourced from PubChem (CID 24750157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).