methyl 1-fluoro-4-oxoquinoline-2-carboxylate

C11H8FNO3 — CID 141116592

IUPACmethyl 1-fluoro-4-oxoquinoline-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2ccccc2n1F
InChIInChI=1S/C11H8FNO3/c1-16-11(15)9-6-10(14)7-4-2-3-5-8(7)13(9)12/h2-6H,1H3
InChIKeyMOWXSQYLTMZIDP-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.52
Rot. Bonds1

About methyl 1-fluoro-4-oxoquinoline-2-carboxylate

methyl 1-fluoro-4-oxoquinoline-2-carboxylate (PubChem CID 141116592) has the molecular formula C11H8FNO3 and a molecular weight of 221.19 g/mol. Its IUPAC name is methyl 1-fluoro-4-oxoquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-fluoro-4-oxoquinoline-2-carboxylate
PubChem CID141116592
Molecular FormulaC11H8FNO3
Molecular Weight221.19 g/mol
Exact Mass221.05
IUPAC Namemethyl 1-fluoro-4-oxoquinoline-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2ccccc2n1F
InChIInChI=1S/C11H8FNO3/c1-16-11(15)9-6-10(14)7-4-2-3-5-8(7)13(9)12/h2-6H,1H3
InChIKeyMOWXSQYLTMZIDP-UHFFFAOYSA-N
XLogP1.52
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-ethyl-4-oxoquinoline-2-carboxylate
CID 13223148
2-(4-methoxybenzoyl)-1-methylquinolin-4-one
CID 15733027
methyl 1-acetyl-3-fluoroindole-2-carboxylate
CID 133062838
methyl 1-(benzoylcarbamoylamino)-6-fluoro-4-oxoquinoline-2-carboxylate
CID 11069002
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
1-butan-2-yl-4-oxoquinoline-2-carboxylic acid
CID 82244126
methyl 1-methyl-4-(trifluoromethyl)indole-2-carboxylate
CID 15550269
methyl 1-methylsulfonylindole-2-carboxylate
CID 1487719
methyl 4-chloro-1-methylindole-2-carboxylate
CID 4777691
1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid
CID 82243055
methyl 4-methoxy-1-phenylindole-2-carboxylate
CID 10493073
methyl 1-methyl-5-(1-methylindazol-3-yl)pyrrole-2-carboxylate
CID 58883428

Frequently Asked Questions

What is the IUPAC name of methyl 1-fluoro-4-oxoquinoline-2-carboxylate?
The IUPAC name of methyl 1-fluoro-4-oxoquinoline-2-carboxylate (CID 141116592) is methyl 1-fluoro-4-oxoquinoline-2-carboxylate.
What is the SMILES notation for methyl 1-fluoro-4-oxoquinoline-2-carboxylate?
The canonical SMILES for methyl 1-fluoro-4-oxoquinoline-2-carboxylate is COC(=O)c1cc(=O)c2ccccc2n1F.
What is the InChIKey of methyl 1-fluoro-4-oxoquinoline-2-carboxylate?
The InChIKey is MOWXSQYLTMZIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO3/c1-16-11(15)9-6-10(14)7-4-2-3-5-8(7)13(9)12/h2-6H,1H3.
What are the key properties of methyl 1-fluoro-4-oxoquinoline-2-carboxylate?
methyl 1-fluoro-4-oxoquinoline-2-carboxylate has a molecular weight of 221.19 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-fluoro-4-oxoquinoline-2-carboxylate is sourced from PubChem (CID 141116592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).