6-chloro-4-methylquinazoline-2-carboxylic acid

C10H7ClN2O2 — CID 84788769

IUPAC6-chloro-4-methylquinazoline-2-carboxylic acid
SMILESCc1nc(C(=O)O)nc2ccc(Cl)cc12
InChIInChI=1S/C10H7ClN2O2/c1-5-7-4-6(11)2-3-8(7)13-9(12-5)10(14)15/h2-4H,1H3,(H,14,15)
InChIKeyUSQGXLSDLIHZAS-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.29
Rot. Bonds1

About 6-chloro-4-methylquinazoline-2-carboxylic acid

6-chloro-4-methylquinazoline-2-carboxylic acid (PubChem CID 84788769) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 6-chloro-4-methylquinazoline-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-methylquinazoline-2-carboxylic acid
PubChem CID84788769
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name6-chloro-4-methylquinazoline-2-carboxylic acid
SMILESCc1nc(C(=O)O)nc2ccc(Cl)cc12
InChIInChI=1S/C10H7ClN2O2/c1-5-7-4-6(11)2-3-8(7)13-9(12-5)10(14)15/h2-4H,1H3,(H,14,15)
InChIKeyUSQGXLSDLIHZAS-UHFFFAOYSA-N
XLogP2.29
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethylquinazoline-2-carboxylic acid
CID 84776717
4-methylquinazoline-2-carboxylic acid
CID 84770673
1-(4,6-dichloro-2-methylquinolin-3-yl)ethanone
CID 139937864
2-tert-butyl-6-chloro-4-methylquinazoline
CID 58810669
7-chloro-3-methylisoquinoline-1-carboxylic acid
CID 84687227
6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
methyl 4,6-dichloroquinazoline-2-carboxylate
CID 131622673
6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 4712139
(2,4-dimethylquinazolin-6-yl)boronic acid
CID 151758909
4-amino-6-chloroquinoline-2-carboxylic acid
CID 46398171
3-(6-chloro-2-methylquinolin-4-yl)butanoic acid
CID 82666719
6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
CID 3348265

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methylquinazoline-2-carboxylic acid?
The IUPAC name of 6-chloro-4-methylquinazoline-2-carboxylic acid (CID 84788769) is 6-chloro-4-methylquinazoline-2-carboxylic acid.
What is the SMILES notation for 6-chloro-4-methylquinazoline-2-carboxylic acid?
The canonical SMILES for 6-chloro-4-methylquinazoline-2-carboxylic acid is Cc1nc(C(=O)O)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-4-methylquinazoline-2-carboxylic acid?
The InChIKey is USQGXLSDLIHZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c1-5-7-4-6(11)2-3-8(7)13-9(12-5)10(14)15/h2-4H,1H3,(H,14,15).
What are the key properties of 6-chloro-4-methylquinazoline-2-carboxylic acid?
6-chloro-4-methylquinazoline-2-carboxylic acid has a molecular weight of 222.63 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methylquinazoline-2-carboxylic acid is sourced from PubChem (CID 84788769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).