methyl 3-(6,7-difluoroquinolin-2-yl)propanoate

C13H11F2NO2 — CID 82244958

IUPACmethyl 3-(6,7-difluoroquinolin-2-yl)propanoate
SMILESCOC(=O)CCc1ccc2cc(F)c(F)cc2n1
InChIInChI=1S/C13H11F2NO2/c1-18-13(17)5-4-9-3-2-8-6-10(14)11(15)7-12(8)16-9/h2-3,6-7H,4-5H2,1H3
InChIKeyKEJSAWHNYXNOQQ-UHFFFAOYSA-N
MW251.23 g/mol
LogP2.62
Rot. Bonds3

About methyl 3-(6,7-difluoroquinolin-2-yl)propanoate

methyl 3-(6,7-difluoroquinolin-2-yl)propanoate (PubChem CID 82244958) has the molecular formula C13H11F2NO2 and a molecular weight of 251.23 g/mol. Its IUPAC name is methyl 3-(6,7-difluoroquinolin-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(6,7-difluoroquinolin-2-yl)propanoate
PubChem CID82244958
Molecular FormulaC13H11F2NO2
Molecular Weight251.23 g/mol
Exact Mass251.08
IUPAC Namemethyl 3-(6,7-difluoroquinolin-2-yl)propanoate
SMILESCOC(=O)CCc1ccc2cc(F)c(F)cc2n1
InChIInChI=1S/C13H11F2NO2/c1-18-13(17)5-4-9-3-2-8-6-10(14)11(15)7-12(8)16-9/h2-3,6-7H,4-5H2,1H3
InChIKeyKEJSAWHNYXNOQQ-UHFFFAOYSA-N
XLogP2.62
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[6-(trifluoromethyl)quinolin-2-yl]propanoate
CID 82249527
methyl 3-(6,7-difluoroquinolin-2-yl)-2-methylpropanoate
CID 82246778
methyl 2-(6-fluoro-2-methylquinolin-7-yl)acetate
CID 70983319
1-(7-chloro-6-fluoroquinolin-2-yl)propan-2-one
CID 82243491
methyl 3-(8-chloroquinolin-2-yl)propanoate
CID 82244790
3-(6-fluoroquinolin-2-yl)-N-methylpropanamide
CID 110465204
methyl 3-(4,6-dimethylquinolin-2-yl)propanoate
CID 82578143
3-(6-fluoroquinolin-2-yl)propanoic acid
CID 82242044
methyl 3-(5,8-dimethoxyquinolin-2-yl)propanoate
CID 82248195
methyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate
CID 606437
methyl 3-(7,8-diacetyloxynaphthalen-2-yl)propanoate
CID 11530016
methyl 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoate
CID 82578176

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6,7-difluoroquinolin-2-yl)propanoate?
The IUPAC name of methyl 3-(6,7-difluoroquinolin-2-yl)propanoate (CID 82244958) is methyl 3-(6,7-difluoroquinolin-2-yl)propanoate.
What is the SMILES notation for methyl 3-(6,7-difluoroquinolin-2-yl)propanoate?
The canonical SMILES for methyl 3-(6,7-difluoroquinolin-2-yl)propanoate is COC(=O)CCc1ccc2cc(F)c(F)cc2n1.
What is the InChIKey of methyl 3-(6,7-difluoroquinolin-2-yl)propanoate?
The InChIKey is KEJSAWHNYXNOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2/c1-18-13(17)5-4-9-3-2-8-6-10(14)11(15)7-12(8)16-9/h2-3,6-7H,4-5H2,1H3.
What are the key properties of methyl 3-(6,7-difluoroquinolin-2-yl)propanoate?
methyl 3-(6,7-difluoroquinolin-2-yl)propanoate has a molecular weight of 251.23 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6,7-difluoroquinolin-2-yl)propanoate is sourced from PubChem (CID 82244958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).