methyl 4-ethoxy-6,7-difluoroquinoline-2-carboxylate

C13H11F2NO3 — CID 102941956

IUPACmethyl 4-ethoxy-6,7-difluoroquinoline-2-carboxylate
SMILESCCOc1cc(C(=O)OC)nc2cc(F)c(F)cc12
InChIInChI=1S/C13H11F2NO3/c1-3-19-12-6-11(13(17)18-2)16-10-5-9(15)8(14)4-7(10)12/h4-6H,3H2,1-2H3
InChIKeyJYUVFZYXJUDRTI-UHFFFAOYSA-N
MW267.23 g/mol
LogP2.70
Rot. Bonds3

About methyl 4-ethoxy-6,7-difluoroquinoline-2-carboxylate

methyl 4-ethoxy-6,7-difluoroquinoline-2-carboxylate (PubChem CID 102941956) has the molecular formula C13H11F2NO3 and a molecular weight of 267.23 g/mol. Its IUPAC name is methyl 4-ethoxy-6,7-difluoroquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethoxy-6,7-difluoroquinoline-2-carboxylate
PubChem CID102941956
Molecular FormulaC13H11F2NO3
Molecular Weight267.23 g/mol
Exact Mass267.07
IUPAC Namemethyl 4-ethoxy-6,7-difluoroquinoline-2-carboxylate
SMILESCCOc1cc(C(=O)OC)nc2cc(F)c(F)cc12
InChIInChI=1S/C13H11F2NO3/c1-3-19-12-6-11(13(17)18-2)16-10-5-9(15)8(14)4-7(10)12/h4-6H,3H2,1-2H3
InChIKeyJYUVFZYXJUDRTI-UHFFFAOYSA-N
XLogP2.70
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-ethoxy-6-methylquinoline-2-carboxylate
CID 102941885
methyl 4-chloro-6,7-difluoroquinoline-2-carboxylate
CID 63376942
methyl 4-ethoxy-5,7,8-trifluoroquinoline-2-carboxylate
CID 102942041
methyl 5-bromo-4-ethoxy-6,8-difluoroquinoline-2-carboxylate
CID 102942154
methyl 5-chloro-4-ethoxy-8-fluoroquinoline-2-carboxylate
CID 102941888
methyl 4-(2-chloroethoxy)-6-fluoroquinoline-2-carboxylate
CID 11482982
dimethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 73212602
methyl 6,8-dibromo-4-ethoxy-5-methoxyquinoline-2-carboxylate
CID 103416918
methyl 6-fluoro-4-(3-phenoxypropoxy)quinoline-2-carboxylate
CID 11462395
methyl 4-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-6,7-dimethoxyquinoline-2-carboxylate
CID 53113209
methyl 4-(2-ethoxyanilino)quinoline-2-carboxylate
CID 45499064
methyl 4-[2-(4-bromophenoxy)ethoxy]-6-fluoroquinoline-2-carboxylate
CID 11281563

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethoxy-6,7-difluoroquinoline-2-carboxylate?
The IUPAC name of methyl 4-ethoxy-6,7-difluoroquinoline-2-carboxylate (CID 102941956) is methyl 4-ethoxy-6,7-difluoroquinoline-2-carboxylate.
What is the SMILES notation for methyl 4-ethoxy-6,7-difluoroquinoline-2-carboxylate?
The canonical SMILES for methyl 4-ethoxy-6,7-difluoroquinoline-2-carboxylate is CCOc1cc(C(=O)OC)nc2cc(F)c(F)cc12.
What is the InChIKey of methyl 4-ethoxy-6,7-difluoroquinoline-2-carboxylate?
The InChIKey is JYUVFZYXJUDRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO3/c1-3-19-12-6-11(13(17)18-2)16-10-5-9(15)8(14)4-7(10)12/h4-6H,3H2,1-2H3.
What are the key properties of methyl 4-ethoxy-6,7-difluoroquinoline-2-carboxylate?
methyl 4-ethoxy-6,7-difluoroquinoline-2-carboxylate has a molecular weight of 267.23 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethoxy-6,7-difluoroquinoline-2-carboxylate is sourced from PubChem (CID 102941956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).