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

C14H13F2NO2 — CID 82246778

IUPACmethyl 3-(6,7-difluoroquinolin-2-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)Cc1ccc2cc(F)c(F)cc2n1
InChIInChI=1S/C14H13F2NO2/c1-8(14(18)19-2)5-10-4-3-9-6-11(15)12(16)7-13(9)17-10/h3-4,6-8H,5H2,1-2H3
InChIKeyRHRUUCSZQXBHAP-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.86
Rot. Bonds3

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

methyl 3-(6,7-difluoroquinolin-2-yl)-2-methylpropanoate (PubChem CID 82246778) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is methyl 3-(6,7-difluoroquinolin-2-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(6,7-difluoroquinolin-2-yl)-2-methylpropanoate
PubChem CID82246778
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC Namemethyl 3-(6,7-difluoroquinolin-2-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)Cc1ccc2cc(F)c(F)cc2n1
InChIInChI=1S/C14H13F2NO2/c1-8(14(18)19-2)5-10-4-3-9-6-11(15)12(16)7-13(9)17-10/h3-4,6-8H,5H2,1-2H3
InChIKeyRHRUUCSZQXBHAP-UHFFFAOYSA-N
XLogP2.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-(6,7-difluoroquinolin-2-yl)-2-methylpropanoate 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 3-(6,7-dimethoxyquinolin-2-yl)-2-methylpropanoate
CID 82250498
methyl 3-(6,7-difluoroquinolin-2-yl)propanoate
CID 82244958
methyl 3-(5-hydroxy-2-pyridinyl)-2-methylpropanoate
CID 134591352
ethyl 2-methyl-3-quinolin-2-ylpropanoate
CID 59134939
methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
CID 40999693
3-(7-bromoquinolin-2-yl)-2-methylpropanoic acid
CID 82251244
3-(6,8-difluoroquinolin-2-yl)-2-methylpropanoic acid
CID 82244963
1-(7-fluoroquinolin-2-yl)propan-2-amine
CID 82241374
methyl (2S)-2-(quinolin-2-ylmethylamino)propanoate
CID 61141163
1-(7-chloro-6-fluoroquinolin-2-yl)propan-2-one
CID 82243491
methyl (2S)-3-(4-chlorophenyl)-2-methylpropanoate
CID 40999700
methyl 2-methyl-3-phenylpropanoate
CID 11105919

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6,7-difluoroquinolin-2-yl)-2-methylpropanoate?
The IUPAC name of methyl 3-(6,7-difluoroquinolin-2-yl)-2-methylpropanoate (CID 82246778) is methyl 3-(6,7-difluoroquinolin-2-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(6,7-difluoroquinolin-2-yl)-2-methylpropanoate?
The canonical SMILES for methyl 3-(6,7-difluoroquinolin-2-yl)-2-methylpropanoate is COC(=O)C(C)Cc1ccc2cc(F)c(F)cc2n1.
What is the InChIKey of methyl 3-(6,7-difluoroquinolin-2-yl)-2-methylpropanoate?
The InChIKey is RHRUUCSZQXBHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2/c1-8(14(18)19-2)5-10-4-3-9-6-11(15)12(16)7-13(9)17-10/h3-4,6-8H,5H2,1-2H3.
What are the key properties of methyl 3-(6,7-difluoroquinolin-2-yl)-2-methylpropanoate?
methyl 3-(6,7-difluoroquinolin-2-yl)-2-methylpropanoate has a molecular weight of 265.26 g/mol, XLogP of 2.86, 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)-2-methylpropanoate is sourced from PubChem (CID 82246778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).