methyl 4-amino-6-fluoro-8-methoxyquinoline-3-carboxylate

C12H11FN2O3 — CID 102614869

IUPACmethyl 4-amino-6-fluoro-8-methoxyquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(OC)cc(F)cc2c1N
InChIInChI=1S/C12H11FN2O3/c1-17-9-4-6(13)3-7-10(14)8(12(16)18-2)5-15-11(7)9/h3-5H,1-2H3,(H2,14,15)
InChIKeyRRESPDLVDWBAMP-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.75
Rot. Bonds2

About methyl 4-amino-6-fluoro-8-methoxyquinoline-3-carboxylate

methyl 4-amino-6-fluoro-8-methoxyquinoline-3-carboxylate (PubChem CID 102614869) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is methyl 4-amino-6-fluoro-8-methoxyquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-fluoro-8-methoxyquinoline-3-carboxylate
PubChem CID102614869
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Namemethyl 4-amino-6-fluoro-8-methoxyquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(OC)cc(F)cc2c1N
InChIInChI=1S/C12H11FN2O3/c1-17-9-4-6(13)3-7-10(14)8(12(16)18-2)5-15-11(7)9/h3-5H,1-2H3,(H2,14,15)
InChIKeyRRESPDLVDWBAMP-UHFFFAOYSA-N
XLogP1.75
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-8-bromo-6-fluoroquinoline-3-carboxylate
CID 102614854
methyl 4-azido-6-fluoro-8-methoxyquinoline-3-carboxylate
CID 102614668
ethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate
CID 54773005
methyl 2,5-difluoro-3-methoxybenzoate
CID 130786948
methyl 4-amino-5,6,8-trifluoroquinoline-3-carboxylate
CID 102614880
methyl 4-amino-8-ethoxyquinoline-3-carboxylate
CID 102614789
methyl 8-bromo-4-chloro-6-fluoroquinoline-3-carboxylate
CID 102614453
4-amino-6,8-difluoroquinoline-3-carboxylic acid
CID 46397763
6-fluoro-8-methoxyquinoline-4-carboxylic acid
CID 102941769
methyl 4-amino-8-propoxyquinoline-3-carboxylate
CID 102614773
methyl 4-amino-7-chloro-6-methylquinoline-3-carboxylate
CID 102614920
methyl 4,6-dichloro-5,8-dimethoxyquinoline-3-carboxylate
CID 102614449

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-fluoro-8-methoxyquinoline-3-carboxylate?
The IUPAC name of methyl 4-amino-6-fluoro-8-methoxyquinoline-3-carboxylate (CID 102614869) is methyl 4-amino-6-fluoro-8-methoxyquinoline-3-carboxylate.
What is the SMILES notation for methyl 4-amino-6-fluoro-8-methoxyquinoline-3-carboxylate?
The canonical SMILES for methyl 4-amino-6-fluoro-8-methoxyquinoline-3-carboxylate is COC(=O)c1cnc2c(OC)cc(F)cc2c1N.
What is the InChIKey of methyl 4-amino-6-fluoro-8-methoxyquinoline-3-carboxylate?
The InChIKey is RRESPDLVDWBAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-17-9-4-6(13)3-7-10(14)8(12(16)18-2)5-15-11(7)9/h3-5H,1-2H3,(H2,14,15).
What are the key properties of methyl 4-amino-6-fluoro-8-methoxyquinoline-3-carboxylate?
methyl 4-amino-6-fluoro-8-methoxyquinoline-3-carboxylate has a molecular weight of 250.23 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-fluoro-8-methoxyquinoline-3-carboxylate is sourced from PubChem (CID 102614869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).