7-chloro-2-(dimethylamino)-6-methoxyquinoline-4-carboxylic acid

C13H13ClN2O3 — CID 84642722

IUPAC7-chloro-2-(dimethylamino)-6-methoxyquinoline-4-carboxylic acid
SMILESCOc1cc2c(C(=O)O)cc(N(C)C)nc2cc1Cl
InChIInChI=1S/C13H13ClN2O3/c1-16(2)12-5-8(13(17)18)7-4-11(19-3)9(14)6-10(7)15-12/h4-6H,1-3H3,(H,17,18)
InChIKeyMXDQZDSPYZKMFQ-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.66
Rot. Bonds3

About 7-chloro-2-(dimethylamino)-6-methoxyquinoline-4-carboxylic acid

7-chloro-2-(dimethylamino)-6-methoxyquinoline-4-carboxylic acid (PubChem CID 84642722) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 7-chloro-2-(dimethylamino)-6-methoxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-chloro-2-(dimethylamino)-6-methoxyquinoline-4-carboxylic acid
PubChem CID84642722
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name7-chloro-2-(dimethylamino)-6-methoxyquinoline-4-carboxylic acid
SMILESCOc1cc2c(C(=O)O)cc(N(C)C)nc2cc1Cl
InChIInChI=1S/C13H13ClN2O3/c1-16(2)12-5-8(13(17)18)7-4-11(19-3)9(14)6-10(7)15-12/h4-6H,1-3H3,(H,17,18)
InChIKeyMXDQZDSPYZKMFQ-UHFFFAOYSA-N
XLogP2.66
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 84642221
7-chloro-4-imidazol-1-yl-6-methoxy-N,N-dimethylquinolin-2-amine
CID 171506611
4,6-dichloro-7-methoxyquinoline-2-carboxylic acid
CID 107623316
2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 134913947
2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 18073642
8-chloro-2-(dimethylamino)-5-methoxyquinoline-3-carboxylic acid
CID 84642729
ethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate
CID 54772978
6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid
CID 3321960
6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 18073657
7-chloro-4-methoxy-6-methylquinoline-2-carboxylic acid
CID 102942140
5-chloro-3-(dimethylamino)-2-methoxybenzoic acid
CID 10728138
2,4,7-trichloro-6-methoxy-3-nitroquinoline
CID 97181891

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(dimethylamino)-6-methoxyquinoline-4-carboxylic acid?
The IUPAC name of 7-chloro-2-(dimethylamino)-6-methoxyquinoline-4-carboxylic acid (CID 84642722) is 7-chloro-2-(dimethylamino)-6-methoxyquinoline-4-carboxylic acid.
What is the SMILES notation for 7-chloro-2-(dimethylamino)-6-methoxyquinoline-4-carboxylic acid?
The canonical SMILES for 7-chloro-2-(dimethylamino)-6-methoxyquinoline-4-carboxylic acid is COc1cc2c(C(=O)O)cc(N(C)C)nc2cc1Cl.
What is the InChIKey of 7-chloro-2-(dimethylamino)-6-methoxyquinoline-4-carboxylic acid?
The InChIKey is MXDQZDSPYZKMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-16(2)12-5-8(13(17)18)7-4-11(19-3)9(14)6-10(7)15-12/h4-6H,1-3H3,(H,17,18).
What are the key properties of 7-chloro-2-(dimethylamino)-6-methoxyquinoline-4-carboxylic acid?
7-chloro-2-(dimethylamino)-6-methoxyquinoline-4-carboxylic acid has a molecular weight of 280.71 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(dimethylamino)-6-methoxyquinoline-4-carboxylic acid is sourced from PubChem (CID 84642722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).