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

C16H12ClN3O2 — CID 170732444

IUPACN-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]acetamide
SMILESCC(=O)Nn1c(-c2cccc(Cl)c2)nc2ccccc2c1=O
InChIInChI=1S/C16H12ClN3O2/c1-10(21)19-20-15(11-5-4-6-12(17)9-11)18-14-8-3-2-7-13(14)16(20)22/h2-9H,1H3,(H,19,21)
InChIKeyMQMQHUALUQFANU-UHFFFAOYSA-N
MW313.74 g/mol
LogP2.81
Rot. Bonds2

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

N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]acetamide (PubChem CID 170732444) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]acetamide
PubChem CID170732444
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC NameN-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]acetamide
SMILESCC(=O)Nn1c(-c2cccc(Cl)c2)nc2ccccc2c1=O
InChIInChI=1S/C16H12ClN3O2/c1-10(21)19-20-15(11-5-4-6-12(17)9-11)18-14-8-3-2-7-13(14)16(20)22/h2-9H,1H3,(H,19,21)
InChIKeyMQMQHUALUQFANU-UHFFFAOYSA-N
XLogP2.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]acetamide (CID 170732444) is N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]acetamide is CC(=O)Nn1c(-c2cccc(Cl)c2)nc2ccccc2c1=O.
What is the InChIKey of N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]acetamide?
The InChIKey is MQMQHUALUQFANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c1-10(21)19-20-15(11-5-4-6-12(17)9-11)18-14-8-3-2-7-13(14)16(20)22/h2-9H,1H3,(H,19,21).
What are the key properties of N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]acetamide?
N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]acetamide has a molecular weight of 313.74 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 170732444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).