8-chloro-2-(dimethylamino)-5-methoxyquinoline-3-carboxylic acid

C13H13ClN2O3 — CID 84642729

IUPAC8-chloro-2-(dimethylamino)-5-methoxyquinoline-3-carboxylic acid
SMILESCOc1ccc(Cl)c2nc(N(C)C)c(C(=O)O)cc12
InChIInChI=1S/C13H13ClN2O3/c1-16(2)12-8(13(17)18)6-7-10(19-3)5-4-9(14)11(7)15-12/h4-6H,1-3H3,(H,17,18)
InChIKeyBDMMVECCCQKJAC-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.66
Rot. Bonds3

About 8-chloro-2-(dimethylamino)-5-methoxyquinoline-3-carboxylic acid

8-chloro-2-(dimethylamino)-5-methoxyquinoline-3-carboxylic acid (PubChem CID 84642729) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 8-chloro-2-(dimethylamino)-5-methoxyquinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-chloro-2-(dimethylamino)-5-methoxyquinoline-3-carboxylic acid
PubChem CID84642729
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name8-chloro-2-(dimethylamino)-5-methoxyquinoline-3-carboxylic acid
SMILESCOc1ccc(Cl)c2nc(N(C)C)c(C(=O)O)cc12
InChIInChI=1S/C13H13ClN2O3/c1-16(2)12-8(13(17)18)6-7-10(19-3)5-4-9(14)11(7)15-12/h4-6H,1-3H3,(H,17,18)
InChIKeyBDMMVECCCQKJAC-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

2,8-dichloro-3-ethyl-5-methoxyquinoline
CID 63232145
2-(8-chloro-5-methoxyquinolin-3-yl)acetic acid
CID 84634455
2,8-dichloro-5-methoxy-3-methylquinoline
CID 63232144
6-(2,5-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxylic acid
CID 94313799
7-chloro-2-(dimethylamino)-6-methoxyquinoline-4-carboxylic acid
CID 84642722
2-(8-chloro-5-methoxyquinolin-2-yl)propanoic acid
CID 84640034
2-(2,5-dimethoxyphenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid
CID 82169256
5-methoxynaphthalene-2,3-dicarboxylic acid
CID 10467078
2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid
CID 82184159
2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 134913947
8-chloro-5-methoxy-4-(methylamino)quinoline-2-carboxylic acid
CID 84640245
4-(dimethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylic acid
CID 82169248

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(dimethylamino)-5-methoxyquinoline-3-carboxylic acid?
The IUPAC name of 8-chloro-2-(dimethylamino)-5-methoxyquinoline-3-carboxylic acid (CID 84642729) is 8-chloro-2-(dimethylamino)-5-methoxyquinoline-3-carboxylic acid.
What is the SMILES notation for 8-chloro-2-(dimethylamino)-5-methoxyquinoline-3-carboxylic acid?
The canonical SMILES for 8-chloro-2-(dimethylamino)-5-methoxyquinoline-3-carboxylic acid is COc1ccc(Cl)c2nc(N(C)C)c(C(=O)O)cc12.
What is the InChIKey of 8-chloro-2-(dimethylamino)-5-methoxyquinoline-3-carboxylic acid?
The InChIKey is BDMMVECCCQKJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-16(2)12-8(13(17)18)6-7-10(19-3)5-4-9(14)11(7)15-12/h4-6H,1-3H3,(H,17,18).
What are the key properties of 8-chloro-2-(dimethylamino)-5-methoxyquinoline-3-carboxylic acid?
8-chloro-2-(dimethylamino)-5-methoxyquinoline-3-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 8-chloro-2-(dimethylamino)-5-methoxyquinoline-3-carboxylic acid is sourced from PubChem (CID 84642729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).