3-chloro-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide

C16H12ClN3O2 — CID 742904

IUPAC3-chloro-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCc1nc2ccccc2c(=O)n1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H12ClN3O2/c1-10-18-14-8-3-2-7-13(14)16(22)20(10)19-15(21)11-5-4-6-12(17)9-11/h2-9H,1H3,(H,19,21)
InChIKeyKUQJPOILAYYRQY-UHFFFAOYSA-N
MW313.74 g/mol
LogP2.74
Rot. Bonds2

About 3-chloro-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide

3-chloro-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide (PubChem CID 742904) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 3-chloro-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
PubChem CID742904
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name3-chloro-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCc1nc2ccccc2c(=O)n1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H12ClN3O2/c1-10-18-14-8-3-2-7-13(14)16(22)20(10)19-15(21)11-5-4-6-12(17)9-11/h2-9H,1H3,(H,19,21)
InChIKeyKUQJPOILAYYRQY-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of 3-chloro-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide (CID 742904) is 3-chloro-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for 3-chloro-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide is Cc1nc2ccccc2c(=O)n1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The InChIKey is KUQJPOILAYYRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c1-10-18-14-8-3-2-7-13(14)16(22)20(10)19-15(21)11-5-4-6-12(17)9-11/h2-9H,1H3,(H,19,21).
What are the key properties of 3-chloro-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
3-chloro-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide has a molecular weight of 313.74 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 742904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).