methyl 6-(1,3-difluoropropan-2-yloxy)quinoline-4-carboxylate

C14H13F2NO3 — CID 170633382

IUPACmethyl 6-(1,3-difluoropropan-2-yloxy)quinoline-4-carboxylate
SMILESCOC(=O)c1ccnc2ccc(OC(CF)CF)cc12
InChIInChI=1S/C14H13F2NO3/c1-19-14(18)11-4-5-17-13-3-2-9(6-12(11)13)20-10(7-15)8-16/h2-6,10H,7-8H2,1H3
InChIKeyFIYQUCQYFKXZCX-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.71
Rot. Bonds5

About methyl 6-(1,3-difluoropropan-2-yloxy)quinoline-4-carboxylate

methyl 6-(1,3-difluoropropan-2-yloxy)quinoline-4-carboxylate (PubChem CID 170633382) has the molecular formula C14H13F2NO3 and a molecular weight of 281.26 g/mol. Its IUPAC name is methyl 6-(1,3-difluoropropan-2-yloxy)quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1,3-difluoropropan-2-yloxy)quinoline-4-carboxylate
PubChem CID170633382
Molecular FormulaC14H13F2NO3
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC Namemethyl 6-(1,3-difluoropropan-2-yloxy)quinoline-4-carboxylate
SMILESCOC(=O)c1ccnc2ccc(OC(CF)CF)cc12
InChIInChI=1S/C14H13F2NO3/c1-19-14(18)11-4-5-17-13-3-2-9(6-12(11)13)20-10(7-15)8-16/h2-6,10H,7-8H2,1H3
InChIKeyFIYQUCQYFKXZCX-UHFFFAOYSA-N
XLogP2.71
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-(2-fluoroethoxy)quinoline-4-carboxylate
CID 170633336
methyl 6-(hydroxymethyl)quinoline-4-carboxylate
CID 170539779
methyl 6-(diethylamino)quinoline-4-carboxylate
CID 102941784
methyl 6-(methylamino)quinoline-4-carboxylate
CID 171107860
methyl 7-(trifluoromethoxy)quinoline-4-carboxylate
CID 53418982
methyl 6-propylquinoline-4-carboxylate
CID 102941688
methyl 3-(6-methoxyquinolin-4-yl)-3-oxopropanoate
CID 82665606
methyl 6,7-dimethoxyquinoline-4-carboxylate
CID 59756874
methyl 6-[4-[2-(tert-butylamino)ethoxy]phenyl]quinoline-4-carboxylate
CID 177034211
azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937
dimethyl quinoline-4,7-dicarboxylate
CID 100951662
sodium;hydride;6-methoxyquinoline-4-carboxylic acid
CID 173088597

Frequently Asked Questions

What is the IUPAC name of methyl 6-(1,3-difluoropropan-2-yloxy)quinoline-4-carboxylate?
The IUPAC name of methyl 6-(1,3-difluoropropan-2-yloxy)quinoline-4-carboxylate (CID 170633382) is methyl 6-(1,3-difluoropropan-2-yloxy)quinoline-4-carboxylate.
What is the SMILES notation for methyl 6-(1,3-difluoropropan-2-yloxy)quinoline-4-carboxylate?
The canonical SMILES for methyl 6-(1,3-difluoropropan-2-yloxy)quinoline-4-carboxylate is COC(=O)c1ccnc2ccc(OC(CF)CF)cc12.
What is the InChIKey of methyl 6-(1,3-difluoropropan-2-yloxy)quinoline-4-carboxylate?
The InChIKey is FIYQUCQYFKXZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO3/c1-19-14(18)11-4-5-17-13-3-2-9(6-12(11)13)20-10(7-15)8-16/h2-6,10H,7-8H2,1H3.
What are the key properties of methyl 6-(1,3-difluoropropan-2-yloxy)quinoline-4-carboxylate?
methyl 6-(1,3-difluoropropan-2-yloxy)quinoline-4-carboxylate has a molecular weight of 281.26 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1,3-difluoropropan-2-yloxy)quinoline-4-carboxylate is sourced from PubChem (CID 170633382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).