ethyl 4-amino-5,8-difluoro-6-methylquinoline-3-carboxylate

C13H12F2N2O2 — CID 103587307

IUPACethyl 4-amino-5,8-difluoro-6-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(F)cc(C)c(F)c2c1N
InChIInChI=1S/C13H12F2N2O2/c1-3-19-13(18)7-5-17-12-8(14)4-6(2)10(15)9(12)11(7)16/h4-5H,3H2,1-2H3,(H2,16,17)
InChIKeyBUJQVWFCVCFJBC-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.58
Rot. Bonds2

About ethyl 4-amino-5,8-difluoro-6-methylquinoline-3-carboxylate

ethyl 4-amino-5,8-difluoro-6-methylquinoline-3-carboxylate (PubChem CID 103587307) has the molecular formula C13H12F2N2O2 and a molecular weight of 266.25 g/mol. Its IUPAC name is ethyl 4-amino-5,8-difluoro-6-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-5,8-difluoro-6-methylquinoline-3-carboxylate
PubChem CID103587307
Molecular FormulaC13H12F2N2O2
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Nameethyl 4-amino-5,8-difluoro-6-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(F)cc(C)c(F)c2c1N
InChIInChI=1S/C13H12F2N2O2/c1-3-19-13(18)7-5-17-12-8(14)4-6(2)10(15)9(12)11(7)16/h4-5H,3H2,1-2H3,(H2,16,17)
InChIKeyBUJQVWFCVCFJBC-UHFFFAOYSA-N
XLogP2.58
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-5,6,8-trifluoroquinoline-3-carboxylate
CID 102614880
ethyl 5,6,8-trifluoro-4-(methylamino)quinoline-3-carboxylate
CID 62809200
ethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate
CID 54773005
ethyl 4-(ethylamino)-5,6,8-trifluoroquinoline-3-carboxylate
CID 62809371
ethyl 5-bromo-4-chloro-6,8-difluoroquinoline-3-carboxylate
CID 102854004
methyl 5,8-difluoro-6-methyl-4-(methylamino)quinoline-3-carboxylate
CID 103587309
ethyl 4-amino-5,8-dimethoxyquinoline-3-carboxylate
CID 46397829
ethyl 4-chloro-5,8-difluoroquinoline-3-carboxylate
CID 17040076
4-amino-5,8-difluoro-6-methylquinoline-3-carbonitrile
CID 103587302
ethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate
CID 103996712
ethyl 4-fluoro-6-iodopyridine-3-carboxylate
CID 131189599
ethyl 4-amino-2-(3,4,5-trifluorophenyl)pyrimidine-5-carboxylate
CID 116646931

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-5,8-difluoro-6-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-amino-5,8-difluoro-6-methylquinoline-3-carboxylate (CID 103587307) is ethyl 4-amino-5,8-difluoro-6-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-5,8-difluoro-6-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-amino-5,8-difluoro-6-methylquinoline-3-carboxylate is CCOC(=O)c1cnc2c(F)cc(C)c(F)c2c1N.
What is the InChIKey of ethyl 4-amino-5,8-difluoro-6-methylquinoline-3-carboxylate?
The InChIKey is BUJQVWFCVCFJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2/c1-3-19-13(18)7-5-17-12-8(14)4-6(2)10(15)9(12)11(7)16/h4-5H,3H2,1-2H3,(H2,16,17).
What are the key properties of ethyl 4-amino-5,8-difluoro-6-methylquinoline-3-carboxylate?
ethyl 4-amino-5,8-difluoro-6-methylquinoline-3-carboxylate has a molecular weight of 266.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-5,8-difluoro-6-methylquinoline-3-carboxylate is sourced from PubChem (CID 103587307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).