methyl 3-(8-chloroquinolin-2-yl)propanoate

C13H12ClNO2 — CID 82244790

IUPACmethyl 3-(8-chloroquinolin-2-yl)propanoate
SMILESCOC(=O)CCc1ccc2cccc(Cl)c2n1
InChIInChI=1S/C13H12ClNO2/c1-17-12(16)8-7-10-6-5-9-3-2-4-11(14)13(9)15-10/h2-6H,7-8H2,1H3
InChIKeyHTUSCLARQZYXHI-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.99
Rot. Bonds3

About methyl 3-(8-chloroquinolin-2-yl)propanoate

methyl 3-(8-chloroquinolin-2-yl)propanoate (PubChem CID 82244790) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is methyl 3-(8-chloroquinolin-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(8-chloroquinolin-2-yl)propanoate
PubChem CID82244790
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Namemethyl 3-(8-chloroquinolin-2-yl)propanoate
SMILESCOC(=O)CCc1ccc2cccc(Cl)c2n1
InChIInChI=1S/C13H12ClNO2/c1-17-12(16)8-7-10-6-5-9-3-2-4-11(14)13(9)15-10/h2-6H,7-8H2,1H3
InChIKeyHTUSCLARQZYXHI-UHFFFAOYSA-N
XLogP2.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-(8-chloroquinolin-2-yl)propanoate 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-(8-chloroquinolin-2-yl)propan-2-one
CID 82242117
methyl 3-(5,8-dimethoxyquinolin-2-yl)propanoate
CID 82248195
methyl 3-[2-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-4-yl]propanoate
CID 107039673
methyl 3-(6,7-difluoroquinolin-2-yl)propanoate
CID 82244958
[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate
CID 55367803
methyl 6-(2,6-dichlorophenyl)-4-oxohexanoate
CID 107902610
methyl 5-(1,8-naphthyridin-2-yl)pentanoate
CID 11447926
methyl 3-[6-(azidomethyl)-2-pyridinyl]propanoate
CID 135277822
methyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate
CID 606437
methyl 3-[6-(trifluoromethyl)quinolin-2-yl]propanoate
CID 82249527
N-[2-[(8-chloroquinolin-2-yl)amino]phenyl]acetamide
CID 177312706
N,N-diethyl-3-(8-methylquinolin-2-yl)propanamide
CID 110487124

Frequently Asked Questions

What is the IUPAC name of methyl 3-(8-chloroquinolin-2-yl)propanoate?
The IUPAC name of methyl 3-(8-chloroquinolin-2-yl)propanoate (CID 82244790) is methyl 3-(8-chloroquinolin-2-yl)propanoate.
What is the SMILES notation for methyl 3-(8-chloroquinolin-2-yl)propanoate?
The canonical SMILES for methyl 3-(8-chloroquinolin-2-yl)propanoate is COC(=O)CCc1ccc2cccc(Cl)c2n1.
What is the InChIKey of methyl 3-(8-chloroquinolin-2-yl)propanoate?
The InChIKey is HTUSCLARQZYXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-17-12(16)8-7-10-6-5-9-3-2-4-11(14)13(9)15-10/h2-6H,7-8H2,1H3.
What are the key properties of methyl 3-(8-chloroquinolin-2-yl)propanoate?
methyl 3-(8-chloroquinolin-2-yl)propanoate has a molecular weight of 249.70 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(8-chloroquinolin-2-yl)propanoate is sourced from PubChem (CID 82244790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).