7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid

C12H10ClNO3 — CID 102941914

IUPAC7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc2c(C)c(Cl)ccc12
InChIInChI=1S/C12H10ClNO3/c1-6-8(13)4-3-7-10(17-2)5-9(12(15)16)14-11(6)7/h3-5H,1-2H3,(H,15,16)
InChIKeyFNYKIMFWWIOFIG-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.90
Rot. Bonds2

About 7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid

7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid (PubChem CID 102941914) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid
PubChem CID102941914
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc2c(C)c(Cl)ccc12
InChIInChI=1S/C12H10ClNO3/c1-6-8(13)4-3-7-10(17-2)5-9(12(15)16)14-11(6)7/h3-5H,1-2H3,(H,15,16)
InChIKeyFNYKIMFWWIOFIG-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

8-chloro-5-fluoro-4-methoxyquinoline-2-carboxylic acid
CID 107531464
7-chloro-4-methoxy-6-methylquinoline-2-carboxylic acid
CID 102942140
methyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate
CID 114250699
methyl 7-amino-4-methoxy-8-methylquinoline-2-carboxylate
CID 134859415
methyl 8-chloro-4-methoxyquinoline-2-carboxylate
CID 53419812
8-chloro-5-methoxy-4-(methylamino)quinoline-2-carboxylic acid
CID 84640245
2,7-dichloro-4,8-dimethylquinoline-3-carboxylic acid
CID 84641441
6,7,8-trifluoro-4-methoxyquinoline-2-carboxylic acid
CID 102941991
4,7,8-trimethylquinoline-2-carboxylic acid
CID 82574760
4,6-dichloro-7-methoxyquinoline-2-carboxylic acid
CID 107623316
8-fluoro-4-methoxy-5-methylquinoline-2-carboxylic acid
CID 102941896
N-(7-chloro-2,8-dimethylquinolin-4-yl)-2-methoxybenzamide
CID 43860367

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid?
The IUPAC name of 7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid (CID 102941914) is 7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid.
What is the SMILES notation for 7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid?
The canonical SMILES for 7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid is COc1cc(C(=O)O)nc2c(C)c(Cl)ccc12.
What is the InChIKey of 7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid?
The InChIKey is FNYKIMFWWIOFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-6-8(13)4-3-7-10(17-2)5-9(12(15)16)14-11(6)7/h3-5H,1-2H3,(H,15,16).
What are the key properties of 7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid?
7-chloro-4-methoxy-8-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-8-methylquinoline-2-carboxylic acid is sourced from PubChem (CID 102941914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).