methyl 5-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate

C11H7ClFNO3 — CID 63376397

IUPACmethyl 5-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2c(Cl)ccc(F)c2[nH]1
InChIInChI=1S/C11H7ClFNO3/c1-17-11(16)7-4-8(15)9-5(12)2-3-6(13)10(9)14-7/h2-4H,1H3,(H,14,15)
InChIKeyQRWAPYLWBBSVQS-UHFFFAOYSA-N
MW255.63 g/mol
LogP2.11
Rot. Bonds1

About methyl 5-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate

methyl 5-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate (PubChem CID 63376397) has the molecular formula C11H7ClFNO3 and a molecular weight of 255.63 g/mol. Its IUPAC name is methyl 5-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate
PubChem CID63376397
Molecular FormulaC11H7ClFNO3
Molecular Weight255.63 g/mol
Exact Mass255.01
IUPAC Namemethyl 5-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2c(Cl)ccc(F)c2[nH]1
InChIInChI=1S/C11H7ClFNO3/c1-17-11(16)7-4-8(15)9-5(12)2-3-6(13)10(9)14-7/h2-4H,1H3,(H,14,15)
InChIKeyQRWAPYLWBBSVQS-UHFFFAOYSA-N
XLogP2.11
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.63
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 5-chloro-8-fluoro-4-oxo-1H-quinoline-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

Related Compounds

methyl 8-chloro-5-fluoro-1-oxo-2H-isoquinoline-3-carboxylate
CID 114517685
2-O-ethyl 5-O-methyl 8-fluoro-4-oxo-1H-quinoline-2,5-dicarboxylate
CID 58959693
methyl 5-fluoro-4-oxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline-2-carboxylate
CID 75486632
5-chloro-8-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one
CID 43668071
methyl 5-methoxy-8-methyl-4-oxo-1H-quinoline-2-carboxylate
CID 114252907
methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate
CID 130408699
methyl 5-fluoro-6-methoxy-4-oxo-1H-quinoline-2-carboxylate
CID 131850530
methyl 5,6-difluoro-1-oxo-2H-isoquinoline-3-carboxylate
CID 53429425
methyl 8-bromo-6-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 46738864
methyl 6-chloro-7-fluoro-4-formyl-1H-indole-2-carboxylate
CID 176811321
methyl 4-fluoro-5-methyl-1H-pyrrole-2-carboxylate
CID 176600119
methyl 5-(2,4-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate
CID 133092788

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of methyl 5-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate (CID 63376397) is methyl 5-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for methyl 5-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for methyl 5-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate is COC(=O)c1cc(=O)c2c(Cl)ccc(F)c2[nH]1.
What is the InChIKey of methyl 5-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is QRWAPYLWBBSVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO3/c1-17-11(16)7-4-8(15)9-5(12)2-3-6(13)10(9)14-7/h2-4H,1H3,(H,14,15).
What are the key properties of methyl 5-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate?
methyl 5-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 255.63 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 63376397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).