3-(2-chlorophenyl)-2-methyl-4-oxoquinazoline-7-carboxylic acid

C16H11ClN2O3 — CID 3057634

IUPAC3-(2-chlorophenyl)-2-methyl-4-oxoquinazoline-7-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2c(=O)n1-c1ccccc1Cl
InChIInChI=1S/C16H11ClN2O3/c1-9-18-13-8-10(16(21)22)6-7-11(13)15(20)19(9)14-5-3-2-4-12(14)17/h2-8H,1H3,(H,21,22)
InChIKeyZALAGHDPKVWXRE-UHFFFAOYSA-N
MW314.73 g/mol
LogP3.05
Rot. Bonds2

About 3-(2-chlorophenyl)-2-methyl-4-oxoquinazoline-7-carboxylic acid

3-(2-chlorophenyl)-2-methyl-4-oxoquinazoline-7-carboxylic acid (PubChem CID 3057634) has the molecular formula C16H11ClN2O3 and a molecular weight of 314.73 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-methyl-4-oxoquinazoline-7-carboxylic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-methyl-4-oxoquinazoline-7-carboxylic acid
PubChem CID3057634
Molecular FormulaC16H11ClN2O3
Molecular Weight314.73 g/mol
Exact Mass314.05
IUPAC Name3-(2-chlorophenyl)-2-methyl-4-oxoquinazoline-7-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2c(=O)n1-c1ccccc1Cl
InChIInChI=1S/C16H11ClN2O3/c1-9-18-13-8-10(16(21)22)6-7-11(13)15(20)19(9)14-5-3-2-4-12(14)17/h2-8H,1H3,(H,21,22)
InChIKeyZALAGHDPKVWXRE-UHFFFAOYSA-N
XLogP3.05
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-methyl-4-oxoquinazoline-7-carboxylic acid?
The IUPAC name of 3-(2-chlorophenyl)-2-methyl-4-oxoquinazoline-7-carboxylic acid (CID 3057634) is 3-(2-chlorophenyl)-2-methyl-4-oxoquinazoline-7-carboxylic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-2-methyl-4-oxoquinazoline-7-carboxylic acid?
The canonical SMILES for 3-(2-chlorophenyl)-2-methyl-4-oxoquinazoline-7-carboxylic acid is Cc1nc2cc(C(=O)O)ccc2c(=O)n1-c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-2-methyl-4-oxoquinazoline-7-carboxylic acid?
The InChIKey is ZALAGHDPKVWXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3/c1-9-18-13-8-10(16(21)22)6-7-11(13)15(20)19(9)14-5-3-2-4-12(14)17/h2-8H,1H3,(H,21,22).
What are the key properties of 3-(2-chlorophenyl)-2-methyl-4-oxoquinazoline-7-carboxylic acid?
3-(2-chlorophenyl)-2-methyl-4-oxoquinazoline-7-carboxylic acid has a molecular weight of 314.73 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-methyl-4-oxoquinazoline-7-carboxylic acid is sourced from PubChem (CID 3057634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).