methyl 2-amino-8-fluoroquinoline-3-carboxylate

C11H9FN2O2 — CID 135392236

IUPACmethyl 2-amino-8-fluoroquinoline-3-carboxylate
SMILESCOC(=O)c1cc2cccc(F)c2nc1N
InChIInChI=1S/C11H9FN2O2/c1-16-11(15)7-5-6-3-2-4-8(12)9(6)14-10(7)13/h2-5H,1H3,(H2,13,14)
InChIKeyOFTZZMPCNHRFNI-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.74
Rot. Bonds1

About methyl 2-amino-8-fluoroquinoline-3-carboxylate

methyl 2-amino-8-fluoroquinoline-3-carboxylate (PubChem CID 135392236) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is methyl 2-amino-8-fluoroquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-8-fluoroquinoline-3-carboxylate
PubChem CID135392236
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Namemethyl 2-amino-8-fluoroquinoline-3-carboxylate
SMILESCOC(=O)c1cc2cccc(F)c2nc1N
InChIInChI=1S/C11H9FN2O2/c1-16-11(15)7-5-6-3-2-4-8(12)9(6)14-10(7)13/h2-5H,1H3,(H2,13,14)
InChIKeyOFTZZMPCNHRFNI-UHFFFAOYSA-N
XLogP1.74
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-amino-8-fluoroquinoline-3-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 2-amino-8-methylquinoline-3-carboxylate
CID 135393173
ethyl 8-fluoro-2-methylquinoline-3-carboxylate
CID 86767447
ethyl 8-fluoro-2-(trifluoromethyl)quinoline-3-carboxylate
CID 169224649
methyl 2-amino-5-fluoro-6-(4-methylphenyl)sulfanylpyridine-3-carboxylate
CID 68941385
8-fluoro-2-methylquinoline-3-carboxylic acid;hydrochloride
CID 119031045
methyl 2-amino-5-bromo-6-chloropyridine-3-carboxylate
CID 131521858
methyl 2-chloro-8-(trifluoromethyl)quinoline-3-carboxylate
CID 117246678
methyl 8-fluoroquinoline-2-carboxylate;2,2,2-trifluoroacetic acid
CID 175906706
ethyl 8-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylate
CID 67124202
methyl 4-amino-2-(5-bromo-2-fluorophenyl)pyrimidine-5-carboxylate
CID 116865037
methyl 2-(2,3-difluorophenyl)-4,5-difluorobenzoate
CID 134635154
methyl 2-amino-5-(2,3-difluorophenoxy)-4-fluorobenzoate
CID 63036791

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-8-fluoroquinoline-3-carboxylate?
The IUPAC name of methyl 2-amino-8-fluoroquinoline-3-carboxylate (CID 135392236) is methyl 2-amino-8-fluoroquinoline-3-carboxylate.
What is the SMILES notation for methyl 2-amino-8-fluoroquinoline-3-carboxylate?
The canonical SMILES for methyl 2-amino-8-fluoroquinoline-3-carboxylate is COC(=O)c1cc2cccc(F)c2nc1N.
What is the InChIKey of methyl 2-amino-8-fluoroquinoline-3-carboxylate?
The InChIKey is OFTZZMPCNHRFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-16-11(15)7-5-6-3-2-4-8(12)9(6)14-10(7)13/h2-5H,1H3,(H2,13,14).
What are the key properties of methyl 2-amino-8-fluoroquinoline-3-carboxylate?
methyl 2-amino-8-fluoroquinoline-3-carboxylate has a molecular weight of 220.20 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-8-fluoroquinoline-3-carboxylate is sourced from PubChem (CID 135392236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).