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

C16H12ClN3O2 — CID 154858262

IUPAC2-(3-chlorophenyl)-N-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nn1cnc2ccccc2c1=O
InChIInChI=1S/C16H12ClN3O2/c17-12-5-3-4-11(8-12)9-15(21)19-20-10-18-14-7-2-1-6-13(14)16(20)22/h1-8,10H,9H2,(H,19,21)
InChIKeyVAYRFIMVASFMKQ-UHFFFAOYSA-N
MW313.74 g/mol
LogP2.36
Rot. Bonds3

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

2-(3-chlorophenyl)-N-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 154858262) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(4-oxoquinazolin-3-yl)acetamide
PubChem CID154858262
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name2-(3-chlorophenyl)-N-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nn1cnc2ccccc2c1=O
InChIInChI=1S/C16H12ClN3O2/c17-12-5-3-4-11(8-12)9-15(21)19-20-10-18-14-7-2-1-6-13(14)16(20)22/h1-8,10H,9H2,(H,19,21)
InChIKeyVAYRFIMVASFMKQ-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(4-oxoquinazolin-3-yl)acetamide (CID 154858262) is 2-(3-chlorophenyl)-N-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(4-oxoquinazolin-3-yl)acetamide is O=C(Cc1cccc(Cl)c1)Nn1cnc2ccccc2c1=O.
What is the InChIKey of 2-(3-chlorophenyl)-N-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is VAYRFIMVASFMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-12-5-3-4-11(8-12)9-15(21)19-20-10-18-14-7-2-1-6-13(14)16(20)22/h1-8,10H,9H2,(H,19,21).
What are the key properties of 2-(3-chlorophenyl)-N-(4-oxoquinazolin-3-yl)acetamide?
2-(3-chlorophenyl)-N-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 313.74 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 154858262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).