methyl 2-(2-fluorophenyl)-4-methoxyquinoline-7-carboxylate

C18H14FNO3 — CID 169130532

IUPACmethyl 2-(2-fluorophenyl)-4-methoxyquinoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(OC)cc(-c3ccccc3F)nc2c1
InChIInChI=1S/C18H14FNO3/c1-22-17-10-16(12-5-3-4-6-14(12)19)20-15-9-11(18(21)23-2)7-8-13(15)17/h3-10H,1-2H3
InChIKeyRICNOCNPSRCFDC-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.84
Rot. Bonds3

About methyl 2-(2-fluorophenyl)-4-methoxyquinoline-7-carboxylate

methyl 2-(2-fluorophenyl)-4-methoxyquinoline-7-carboxylate (PubChem CID 169130532) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)-4-methoxyquinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)-4-methoxyquinoline-7-carboxylate
PubChem CID169130532
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Namemethyl 2-(2-fluorophenyl)-4-methoxyquinoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(OC)cc(-c3ccccc3F)nc2c1
InChIInChI=1S/C18H14FNO3/c1-22-17-10-16(12-5-3-4-6-14(12)19)20-15-9-11(18(21)23-2)7-8-13(15)17/h3-10H,1-2H3
InChIKeyRICNOCNPSRCFDC-UHFFFAOYSA-N
XLogP3.84
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-2-(2-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride
CID 176738722
methyl 3-fluoro-4-(5-fluoro-6-methoxyquinolin-2-yl)benzoate
CID 66980053
2-(3-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride
CID 169130695
(Z)-3-amino-2-cyano-3-[2-(2-fluorophenyl)-4-methoxyquinolin-7-yl]-N'-(3-hydroxy-3-methylcyclobutyl)prop-2-enimidamide
CID 169130634
methyl 4-fluoro-3-naphthalen-1-ylbenzoate
CID 75488354
methyl 2-(2-bromophenyl)quinoline-7-carboxylate
CID 169130575
methyl 8-(2-fluoro-3-methoxyphenyl)naphthalene-2-carboxylate
CID 58553524
methyl phenazine-2-carboxylate
CID 617185
methyl 2-(2-methoxyanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
CID 22589750
methyl 6-[5-(2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate
CID 146661814
methyl 8-(2,3-difluoro-6-methoxyphenyl)naphthalene-2-carboxylate
CID 58553526
7-acetamido-2-(2-fluorophenyl)quinoline-4-carboxylic acid
CID 18073623

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)-4-methoxyquinoline-7-carboxylate?
The IUPAC name of methyl 2-(2-fluorophenyl)-4-methoxyquinoline-7-carboxylate (CID 169130532) is methyl 2-(2-fluorophenyl)-4-methoxyquinoline-7-carboxylate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)-4-methoxyquinoline-7-carboxylate?
The canonical SMILES for methyl 2-(2-fluorophenyl)-4-methoxyquinoline-7-carboxylate is COC(=O)c1ccc2c(OC)cc(-c3ccccc3F)nc2c1.
What is the InChIKey of methyl 2-(2-fluorophenyl)-4-methoxyquinoline-7-carboxylate?
The InChIKey is RICNOCNPSRCFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c1-22-17-10-16(12-5-3-4-6-14(12)19)20-15-9-11(18(21)23-2)7-8-13(15)17/h3-10H,1-2H3.
What are the key properties of methyl 2-(2-fluorophenyl)-4-methoxyquinoline-7-carboxylate?
methyl 2-(2-fluorophenyl)-4-methoxyquinoline-7-carboxylate has a molecular weight of 311.31 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluorophenyl)-4-methoxyquinoline-7-carboxylate is sourced from PubChem (CID 169130532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).