2-(7-methoxyisoquinolin-1-yl)cyclopropane-1-carboxylic acid

C14H13NO3 — CID 116995318

IUPAC2-(7-methoxyisoquinolin-1-yl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc2ccnc(C3CC3C(=O)O)c2c1
InChIInChI=1S/C14H13NO3/c1-18-9-3-2-8-4-5-15-13(10(8)6-9)11-7-12(11)14(16)17/h2-6,11-12H,7H2,1H3,(H,16,17)
InChIKeyIETRJWQWPABNOO-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.43
Rot. Bonds3

About 2-(7-methoxyisoquinolin-1-yl)cyclopropane-1-carboxylic acid

2-(7-methoxyisoquinolin-1-yl)cyclopropane-1-carboxylic acid (PubChem CID 116995318) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-(7-methoxyisoquinolin-1-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(7-methoxyisoquinolin-1-yl)cyclopropane-1-carboxylic acid
PubChem CID116995318
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-(7-methoxyisoquinolin-1-yl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc2ccnc(C3CC3C(=O)O)c2c1
InChIInChI=1S/C14H13NO3/c1-18-9-3-2-8-4-5-15-13(10(8)6-9)11-7-12(11)14(16)17/h2-6,11-12H,7H2,1H3,(H,16,17)
InChIKeyIETRJWQWPABNOO-UHFFFAOYSA-N
XLogP2.43
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 106536320
3-(7-methoxyisoquinolin-1-yl)cyclobutan-1-amine
CID 116995308
2-[cyclopropylmethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid
CID 106535979
7-methoxy-1-pyrrolidin-3-ylisoquinoline
CID 116995292
ethyl (1S)-2-isoquinolin-1-ylcyclopropane-1-carboxylate
CID 90221399
2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 67289393
2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 158316657
ethyl (1S)-2-(6-chloroisoquinolin-1-yl)cyclopropane-1-carboxylate
CID 171099252
2-[ethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid
CID 106536025
trans-(1S,2S)-2-(3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 93299452
7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine
CID 106539528
1-(7-methoxyisoquinolin-1-yl)azetidin-3-amine
CID 106540757

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxyisoquinolin-1-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(7-methoxyisoquinolin-1-yl)cyclopropane-1-carboxylic acid (CID 116995318) is 2-(7-methoxyisoquinolin-1-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(7-methoxyisoquinolin-1-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(7-methoxyisoquinolin-1-yl)cyclopropane-1-carboxylic acid is COc1ccc2ccnc(C3CC3C(=O)O)c2c1.
What is the InChIKey of 2-(7-methoxyisoquinolin-1-yl)cyclopropane-1-carboxylic acid?
The InChIKey is IETRJWQWPABNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-18-9-3-2-8-4-5-15-13(10(8)6-9)11-7-12(11)14(16)17/h2-6,11-12H,7H2,1H3,(H,16,17).
What are the key properties of 2-(7-methoxyisoquinolin-1-yl)cyclopropane-1-carboxylic acid?
2-(7-methoxyisoquinolin-1-yl)cyclopropane-1-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxyisoquinolin-1-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116995318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).