6-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxylic acid

C16H15ClN2O3 — CID 122057766

IUPAC6-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxylic acid
SMILESCOc1cc2c(cc1Cl)CN(c1cccc(C(=O)O)n1)CC2
InChIInChI=1S/C16H15ClN2O3/c1-22-14-8-10-5-6-19(9-11(10)7-12(14)17)15-4-2-3-13(18-15)16(20)21/h2-4,7-8H,5-6,9H2,1H3,(H,20,21)
InChIKeyCEOXHIWOLDJYFA-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.00
Rot. Bonds3

About 6-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxylic acid

6-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxylic acid (PubChem CID 122057766) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 6-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxylic acid
PubChem CID122057766
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name6-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxylic acid
SMILESCOc1cc2c(cc1Cl)CN(c1cccc(C(=O)O)n1)CC2
InChIInChI=1S/C16H15ClN2O3/c1-22-14-8-10-5-6-19(9-11(10)7-12(14)17)15-4-2-3-13(18-15)16(20)21/h2-4,7-8H,5-6,9H2,1H3,(H,20,21)
InChIKeyCEOXHIWOLDJYFA-UHFFFAOYSA-N
XLogP3.00
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid
CID 4967934
N-(3-chloro-4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573514
6,7-dimethoxy-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 112884051
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpyridine-4-carboxamide
CID 109174994
6-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122053129
[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112689
[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109168489
[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109152150
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethylpyrimidin-2-amine
CID 112899186
[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341073
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)pyrimidin-2-amine
CID 112899619
azepan-1-yl-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methanone
CID 109160960

Frequently Asked Questions

What is the IUPAC name of 6-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxylic acid (CID 122057766) is 6-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxylic acid is COc1cc2c(cc1Cl)CN(c1cccc(C(=O)O)n1)CC2.
What is the InChIKey of 6-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxylic acid?
The InChIKey is CEOXHIWOLDJYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-22-14-8-10-5-6-19(9-11(10)7-12(14)17)15-4-2-3-13(18-15)16(20)21/h2-4,7-8H,5-6,9H2,1H3,(H,20,21).
What are the key properties of 6-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxylic acid?
6-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxylic acid has a molecular weight of 318.76 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 122057766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).