methyl 4-quinolin-6-ylbutanoate

C14H15NO2 — CID 116997352

IUPACmethyl 4-quinolin-6-ylbutanoate
SMILESCOC(=O)CCCc1ccc2ncccc2c1
InChIInChI=1S/C14H15NO2/c1-17-14(16)6-2-4-11-7-8-13-12(10-11)5-3-9-15-13/h3,5,7-10H,2,4,6H2,1H3
InChIKeyPRIMCXWOAOKGMA-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.73
Rot. Bonds4

About methyl 4-quinolin-6-ylbutanoate

methyl 4-quinolin-6-ylbutanoate (PubChem CID 116997352) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 4-quinolin-6-ylbutanoate.

Molecular Properties

Compound Namemethyl 4-quinolin-6-ylbutanoate
PubChem CID116997352
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namemethyl 4-quinolin-6-ylbutanoate
SMILESCOC(=O)CCCc1ccc2ncccc2c1
InChIInChI=1S/C14H15NO2/c1-17-14(16)6-2-4-11-7-8-13-12(10-11)5-3-9-15-13/h3,5,7-10H,2,4,6H2,1H3
InChIKeyPRIMCXWOAOKGMA-UHFFFAOYSA-N
XLogP2.73
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-quinolin-6-ylbutanoate 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

methyl 4-(quinolin-6-ylamino)butanoate
CID 82539291
methyl 3-(8-methylquinolin-6-yl)propanoate
CID 82578281
6-(2-chloroethyl)quinoline
CID 53404433
6-(2-bromoethyl)quinoline
CID 68811984
methyl 4-(3-hydroxyphenyl)butanoate
CID 54142007
2-methyl-N-(2-quinolin-6-ylethyl)propan-2-amine
CID 62549001
methyl 5-(1,8-naphthyridin-2-yl)pentanoate
CID 11447926
2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide
CID 110470774
methyl 4-(1,2-dimethylbenzimidazol-5-yl)butanoate
CID 96675259
methyl 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylate
CID 168694195
ethyl 2-oxo-3-quinolin-6-ylpropanoate
CID 170993998
1-O-(4-fluorophenyl) 9-O-quinolin-6-yl nonanedioate
CID 118670311

Frequently Asked Questions

What is the IUPAC name of methyl 4-quinolin-6-ylbutanoate?
The IUPAC name of methyl 4-quinolin-6-ylbutanoate (CID 116997352) is methyl 4-quinolin-6-ylbutanoate.
What is the SMILES notation for methyl 4-quinolin-6-ylbutanoate?
The canonical SMILES for methyl 4-quinolin-6-ylbutanoate is COC(=O)CCCc1ccc2ncccc2c1.
What is the InChIKey of methyl 4-quinolin-6-ylbutanoate?
The InChIKey is PRIMCXWOAOKGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-17-14(16)6-2-4-11-7-8-13-12(10-11)5-3-9-15-13/h3,5,7-10H,2,4,6H2,1H3.
What are the key properties of methyl 4-quinolin-6-ylbutanoate?
methyl 4-quinolin-6-ylbutanoate has a molecular weight of 229.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-quinolin-6-ylbutanoate is sourced from PubChem (CID 116997352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).