4-(4-methylisoquinolin-7-yl)butanoic acid

C14H15NO2 — CID 117330539

IUPAC4-(4-methylisoquinolin-7-yl)butanoic acid
SMILESCc1cncc2cc(CCCC(=O)O)ccc12
InChIInChI=1S/C14H15NO2/c1-10-8-15-9-12-7-11(5-6-13(10)12)3-2-4-14(16)17/h5-9H,2-4H2,1H3,(H,16,17)
InChIKeyKNYSPVNIOZLWTL-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.95
Rot. Bonds4

About 4-(4-methylisoquinolin-7-yl)butanoic acid

4-(4-methylisoquinolin-7-yl)butanoic acid (PubChem CID 117330539) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(4-methylisoquinolin-7-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-methylisoquinolin-7-yl)butanoic acid
PubChem CID117330539
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name4-(4-methylisoquinolin-7-yl)butanoic acid
SMILESCc1cncc2cc(CCCC(=O)O)ccc12
InChIInChI=1S/C14H15NO2/c1-10-8-15-9-12-7-11(5-6-13(10)12)3-2-4-14(16)17/h5-9H,2-4H2,1H3,(H,16,17)
InChIKeyKNYSPVNIOZLWTL-UHFFFAOYSA-N
XLogP2.95
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-methylisoquinolin-7-yl)butanoic 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

4-(4-tert-butylisoquinolin-7-yl)butanoic acid
CID 117431420
N-methyl-2-(4-methylisoquinolin-7-yl)ethanamine
CID 117289513
4-(3-hydroxy-5-methyl-4-pyridinyl)butanoic acid
CID 67825011
4-[6-(3-carboxypropyl)-5-methyl-3-pyridinyl]butanoic acid
CID 70628772
4-(2-methyl-1-benzofuran-5-yl)butanoic acid
CID 83888027
4-(1,3-dimethylindazol-6-yl)butanoic acid
CID 117336304
4-(4-methyl-3-methylsulfanylphenyl)butanoic acid
CID 117322469
5-(3-fluoro-4-methylphenyl)pentanoic acid
CID 169495010
3-(2,4-dimethylquinolin-7-yl)propanoic acid
CID 82577927
13-(3-hydroxy-4-methylphenyl)-10-oxotridecanoic acid
CID 158929956
4-(5-bromo-3-pyridinyl)butanoic acid
CID 104813709
4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid
CID 138459303

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylisoquinolin-7-yl)butanoic acid?
The IUPAC name of 4-(4-methylisoquinolin-7-yl)butanoic acid (CID 117330539) is 4-(4-methylisoquinolin-7-yl)butanoic acid.
What is the SMILES notation for 4-(4-methylisoquinolin-7-yl)butanoic acid?
The canonical SMILES for 4-(4-methylisoquinolin-7-yl)butanoic acid is Cc1cncc2cc(CCCC(=O)O)ccc12.
What is the InChIKey of 4-(4-methylisoquinolin-7-yl)butanoic acid?
The InChIKey is KNYSPVNIOZLWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10-8-15-9-12-7-11(5-6-13(10)12)3-2-4-14(16)17/h5-9H,2-4H2,1H3,(H,16,17).
What are the key properties of 4-(4-methylisoquinolin-7-yl)butanoic acid?
4-(4-methylisoquinolin-7-yl)butanoic acid has a molecular weight of 229.28 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylisoquinolin-7-yl)butanoic acid is sourced from PubChem (CID 117330539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).