N-(2-chlorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide

C16H12ClN3O2 — CID 712933

IUPACN-(2-chlorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1ccccc1Cl
InChIInChI=1S/C16H12ClN3O2/c17-12-6-2-4-8-14(12)19-15(21)9-20-10-18-13-7-3-1-5-11(13)16(20)22/h1-8,10H,9H2,(H,19,21)
InChIKeyPLHHDSZTZXIBKN-UHFFFAOYSA-N
MW313.74 g/mol
LogP2.69
Rot. Bonds3

About N-(2-chlorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide

N-(2-chlorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 712933) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID712933
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC NameN-(2-chlorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1ccccc1Cl
InChIInChI=1S/C16H12ClN3O2/c17-12-6-2-4-8-14(12)19-15(21)9-20-10-18-13-7-3-1-5-11(13)16(20)22/h1-8,10H,9H2,(H,19,21)
InChIKeyPLHHDSZTZXIBKN-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 712933) is N-(2-chlorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccccc2c1=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is PLHHDSZTZXIBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-12-6-2-4-8-14(12)19-15(21)9-20-10-18-13-7-3-1-5-11(13)16(20)22/h1-8,10H,9H2,(H,19,21).
What are the key properties of N-(2-chlorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(2-chlorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 313.74 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 712933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).