methyl 8-fluoro-4-phenylquinoline-2-carboxylate

C17H12FNO2 — CID 156703056

IUPACmethyl 8-fluoro-4-phenylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)c2cccc(F)c2n1
InChIInChI=1S/C17H12FNO2/c1-21-17(20)15-10-13(11-6-3-2-4-7-11)12-8-5-9-14(18)16(12)19-15/h2-10H,1H3
InChIKeySSMKTRNRMQEHBC-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.83
Rot. Bonds2

About methyl 8-fluoro-4-phenylquinoline-2-carboxylate

methyl 8-fluoro-4-phenylquinoline-2-carboxylate (PubChem CID 156703056) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is methyl 8-fluoro-4-phenylquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-fluoro-4-phenylquinoline-2-carboxylate
PubChem CID156703056
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Namemethyl 8-fluoro-4-phenylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)c2cccc(F)c2n1
InChIInChI=1S/C17H12FNO2/c1-21-17(20)15-10-13(11-6-3-2-4-7-11)12-8-5-9-14(18)16(12)19-15/h2-10H,1H3
InChIKeySSMKTRNRMQEHBC-UHFFFAOYSA-N
XLogP3.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 8-fluoro-4-phenylquinoline-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 8-fluoro-4-phenylquinoline-2-carboxylate?
The IUPAC name of methyl 8-fluoro-4-phenylquinoline-2-carboxylate (CID 156703056) is methyl 8-fluoro-4-phenylquinoline-2-carboxylate.
What is the SMILES notation for methyl 8-fluoro-4-phenylquinoline-2-carboxylate?
The canonical SMILES for methyl 8-fluoro-4-phenylquinoline-2-carboxylate is COC(=O)c1cc(-c2ccccc2)c2cccc(F)c2n1.
What is the InChIKey of methyl 8-fluoro-4-phenylquinoline-2-carboxylate?
The InChIKey is SSMKTRNRMQEHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c1-21-17(20)15-10-13(11-6-3-2-4-7-11)12-8-5-9-14(18)16(12)19-15/h2-10H,1H3.
What are the key properties of methyl 8-fluoro-4-phenylquinoline-2-carboxylate?
methyl 8-fluoro-4-phenylquinoline-2-carboxylate has a molecular weight of 281.29 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-fluoro-4-phenylquinoline-2-carboxylate is sourced from PubChem (CID 156703056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).