7-chloro-4-methoxy-6-methylquinoline-2-carboxylic acid

C12H10ClNO3 — CID 102942140

IUPAC7-chloro-4-methoxy-6-methylquinoline-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc2cc(Cl)c(C)cc12
InChIInChI=1S/C12H10ClNO3/c1-6-3-7-9(4-8(6)13)14-10(12(15)16)5-11(7)17-2/h3-5H,1-2H3,(H,15,16)
InChIKeyGTWQULSLHMIJIF-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.90
Rot. Bonds2

About 7-chloro-4-methoxy-6-methylquinoline-2-carboxylic acid

7-chloro-4-methoxy-6-methylquinoline-2-carboxylic acid (PubChem CID 102942140) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 7-chloro-4-methoxy-6-methylquinoline-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-4-methoxy-6-methylquinoline-2-carboxylic acid
PubChem CID102942140
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name7-chloro-4-methoxy-6-methylquinoline-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc2cc(Cl)c(C)cc12
InChIInChI=1S/C12H10ClNO3/c1-6-3-7-9(4-8(6)13)14-10(12(15)16)5-11(7)17-2/h3-5H,1-2H3,(H,15,16)
InChIKeyGTWQULSLHMIJIF-UHFFFAOYSA-N
XLogP2.90
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-4-methoxy-6-methylquinoline-2-carboxylic acid
CID 102942124
4,6-dichloro-7-methoxyquinoline-2-carboxylic acid
CID 107623316
7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid
CID 102941914
4-methoxy-6-nitroquinoline-2-carboxylic acid
CID 676850
4-amino-6,7-dimethoxyquinoline-2-carboxylic acid
CID 84632987
6-butan-2-yl-4-methoxyquinoline-2-carboxylic acid
CID 102941998
6-bromo-4-methoxy-5,7-dimethylquinoline-2-carboxylic acid
CID 107579495
4-methoxy-6-[(4-methylbenzoyl)amino]quinoline-2-carboxylic acid
CID 10806772
4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid
CID 102942059
8-chloro-5-fluoro-4-methoxyquinoline-2-carboxylic acid
CID 107531464
6,7,8-trifluoro-4-methoxyquinoline-2-carboxylic acid
CID 102941991
8-fluoro-4-methoxy-5-methylquinoline-2-carboxylic acid
CID 102941896

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methoxy-6-methylquinoline-2-carboxylic acid?
The IUPAC name of 7-chloro-4-methoxy-6-methylquinoline-2-carboxylic acid (CID 102942140) is 7-chloro-4-methoxy-6-methylquinoline-2-carboxylic acid.
What is the SMILES notation for 7-chloro-4-methoxy-6-methylquinoline-2-carboxylic acid?
The canonical SMILES for 7-chloro-4-methoxy-6-methylquinoline-2-carboxylic acid is COc1cc(C(=O)O)nc2cc(Cl)c(C)cc12.
What is the InChIKey of 7-chloro-4-methoxy-6-methylquinoline-2-carboxylic acid?
The InChIKey is GTWQULSLHMIJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-6-3-7-9(4-8(6)13)14-10(12(15)16)5-11(7)17-2/h3-5H,1-2H3,(H,15,16).
What are the key properties of 7-chloro-4-methoxy-6-methylquinoline-2-carboxylic acid?
7-chloro-4-methoxy-6-methylquinoline-2-carboxylic acid has a molecular weight of 251.67 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methoxy-6-methylquinoline-2-carboxylic acid is sourced from PubChem (CID 102942140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).