2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide

C16H11ClN4O4 — CID 8536853

IUPAC2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide
SMILESO=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H11ClN4O4/c17-10-1-6-14-13(7-10)16(23)20(9-18-14)8-15(22)19-11-2-4-12(5-3-11)21(24)25/h1-7,9H,8H2,(H,19,22)
InChIKeyIUDSMHCBLSBKCY-UHFFFAOYSA-N
MW358.74 g/mol
LogP2.60
Rot. Bonds4

About 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide

2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide (PubChem CID 8536853) has the molecular formula C16H11ClN4O4 and a molecular weight of 358.74 g/mol. Its IUPAC name is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide
PubChem CID8536853
Molecular FormulaC16H11ClN4O4
Molecular Weight358.74 g/mol
Exact Mass358.05
IUPAC Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide
SMILESO=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H11ClN4O4/c17-10-1-6-14-13(7-10)16(23)20(9-18-14)8-15(22)19-11-2-4-12(5-3-11)21(24)25/h1-7,9H,8H2,(H,19,22)
InChIKeyIUDSMHCBLSBKCY-UHFFFAOYSA-N
XLogP2.60
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.74
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-nitrophenyl)acetamide
CID 9355985
N-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84601847
6-chloro-3-[2-(4-nitrophenyl)-2-oxoethyl]quinazolin-4-one
CID 4997929
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 5011290
N-(5-chloro-2-methoxyphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227403
ethyl 4-[[2-(6-nitro-4-oxoquinazolin-3-yl)acetyl]amino]benzoate
CID 4850916
N-[4-[(2S)-butan-2-yl]phenyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 7587529
N-(1,3-benzodioxol-5-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227348
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 8005577
N,N-dimethyl-4-[[2-(7-nitro-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 55308132
N-(2-fluorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 4826132
N-(4-methylsulfonylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55465478

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide (CID 8536853) is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide is O=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide?
The InChIKey is IUDSMHCBLSBKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O4/c17-10-1-6-14-13(7-10)16(23)20(9-18-14)8-15(22)19-11-2-4-12(5-3-11)21(24)25/h1-7,9H,8H2,(H,19,22).
What are the key properties of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide?
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide has a molecular weight of 358.74 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 8536853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).