ethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate

C13H13FN2O2 — CID 54773005

IUPACethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cc(F)cc2c1N
InChIInChI=1S/C13H13FN2O2/c1-3-18-13(17)10-6-16-12-7(2)4-8(14)5-9(12)11(10)15/h4-6H,3H2,1-2H3,(H2,15,16)
InChIKeyVVAKEOWHVZMVGW-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.44
Rot. Bonds2

About ethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate

ethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate (PubChem CID 54773005) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is ethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate
PubChem CID54773005
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Nameethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cc(F)cc2c1N
InChIInChI=1S/C13H13FN2O2/c1-3-18-13(17)10-6-16-12-7(2)4-8(14)5-9(12)11(10)15/h4-6H,3H2,1-2H3,(H2,15,16)
InChIKeyVVAKEOWHVZMVGW-UHFFFAOYSA-N
XLogP2.44
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-fluoro-4-[2-hydroxyethyl(methyl)amino]-8-methylquinoline-3-carboxylate
CID 133381447
1-(3-ethoxycarbonyl-6-fluoro-8-methylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047475
ethyl 6-fluoro-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-8-methylquinoline-3-carboxylate
CID 133410718
ethyl 6-fluoro-4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-8-methylquinoline-3-carboxylate
CID 133486042
ethyl 4-amino-5,8-difluoro-6-methylquinoline-3-carboxylate
CID 103587307
ethyl 4-(4-but-3-ynylpiperazin-1-yl)-6-fluoro-8-methylquinoline-3-carboxylate
CID 133453618
ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate
CID 3352918
methyl 4-amino-8-bromo-6-fluoroquinoline-3-carboxylate
CID 102614854
methyl 4-amino-6-fluoro-8-methoxyquinoline-3-carboxylate
CID 102614869
ethyl 3-carbamoyl-4-chloro-8-methylquinoline-6-carboxylate
CID 58946108
ethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate
CID 103996712
ethyl 6,8-difluoro-4-(propylamino)quinoline-3-carboxylate
CID 63486440

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate (CID 54773005) is ethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate is CCOC(=O)c1cnc2c(C)cc(F)cc2c1N.
What is the InChIKey of ethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate?
The InChIKey is VVAKEOWHVZMVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-3-18-13(17)10-6-16-12-7(2)4-8(14)5-9(12)11(10)15/h4-6H,3H2,1-2H3,(H2,15,16).
What are the key properties of ethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate?
ethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate has a molecular weight of 248.26 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate is sourced from PubChem (CID 54773005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).