2-[1-(1-methoxyisoquinolin-7-yl)cyclopropyl]acetic acid

C15H15NO3 — CID 117396222

IUPAC2-[1-(1-methoxyisoquinolin-7-yl)cyclopropyl]acetic acid
SMILESCOc1nccc2ccc(C3(CC(=O)O)CC3)cc12
InChIInChI=1S/C15H15NO3/c1-19-14-12-8-11(3-2-10(12)4-7-16-14)15(5-6-15)9-13(17)18/h2-4,7-8H,5-6,9H2,1H3,(H,17,18)
InChIKeyOXVIXRVENHOWEX-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.75
Rot. Bonds4

About 2-[1-(1-methoxyisoquinolin-7-yl)cyclopropyl]acetic acid

2-[1-(1-methoxyisoquinolin-7-yl)cyclopropyl]acetic acid (PubChem CID 117396222) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[1-(1-methoxyisoquinolin-7-yl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-methoxyisoquinolin-7-yl)cyclopropyl]acetic acid
PubChem CID117396222
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-[1-(1-methoxyisoquinolin-7-yl)cyclopropyl]acetic acid
SMILESCOc1nccc2ccc(C3(CC(=O)O)CC3)cc12
InChIInChI=1S/C15H15NO3/c1-19-14-12-8-11(3-2-10(12)4-7-16-14)15(5-6-15)9-13(17)18/h2-4,7-8H,5-6,9H2,1H3,(H,17,18)
InChIKeyOXVIXRVENHOWEX-UHFFFAOYSA-N
XLogP2.75
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(1-methoxyisoquinolin-7-yl)cyclopropyl]acetic 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

1-(1-methoxyisoquinolin-7-yl)cyclohexane-1-carboxylic acid
CID 117459630
[1-(1-methoxyisoquinolin-7-yl)cyclobutyl]methanamine
CID 117358088
2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
CID 82077265
1-(1-methoxyisoquinolin-6-yl)cyclopropan-1-ol
CID 117306768
2-[1-(4-methoxy-3-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117384277
2-[1-(4-methoxy-3-phenylphenyl)cyclopropyl]acetic acid
CID 117453777
4-amino-4-(1-methoxyisoquinolin-7-yl)butanoic acid
CID 117404896
2-[1-(1,2-dimethylbenzimidazol-5-yl)cyclopropyl]acetic acid
CID 117362592
7-bromo-1-methoxyisoquinoline
CID 67491611
2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 84787396
2-[1-(4-bromo-3-methylphenyl)cyclopropyl]acetic acid
CID 84808527
2-[1-[4-methoxy-3,5-di(propan-2-yl)phenyl]cyclopropyl]acetic acid
CID 117469305

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methoxyisoquinolin-7-yl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(1-methoxyisoquinolin-7-yl)cyclopropyl]acetic acid (CID 117396222) is 2-[1-(1-methoxyisoquinolin-7-yl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(1-methoxyisoquinolin-7-yl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(1-methoxyisoquinolin-7-yl)cyclopropyl]acetic acid is COc1nccc2ccc(C3(CC(=O)O)CC3)cc12.
What is the InChIKey of 2-[1-(1-methoxyisoquinolin-7-yl)cyclopropyl]acetic acid?
The InChIKey is OXVIXRVENHOWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-19-14-12-8-11(3-2-10(12)4-7-16-14)15(5-6-15)9-13(17)18/h2-4,7-8H,5-6,9H2,1H3,(H,17,18).
What are the key properties of 2-[1-(1-methoxyisoquinolin-7-yl)cyclopropyl]acetic acid?
2-[1-(1-methoxyisoquinolin-7-yl)cyclopropyl]acetic acid has a molecular weight of 257.29 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methoxyisoquinolin-7-yl)cyclopropyl]acetic acid is sourced from PubChem (CID 117396222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).