methyl 8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate

C14H14FNO3 — CID 102941932

IUPACmethyl 8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OC(C)C)c2cccc(F)c2n1
InChIInChI=1S/C14H14FNO3/c1-8(2)19-12-7-11(14(17)18-3)16-13-9(12)5-4-6-10(13)15/h4-8H,1-3H3
InChIKeyBXOLMYPBJICUHE-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.95
Rot. Bonds3

About methyl 8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate

methyl 8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate (PubChem CID 102941932) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is methyl 8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate
PubChem CID102941932
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Namemethyl 8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OC(C)C)c2cccc(F)c2n1
InChIInChI=1S/C14H14FNO3/c1-8(2)19-12-7-11(14(17)18-3)16-13-9(12)5-4-6-10(13)15/h4-8H,1-3H3
InChIKeyBXOLMYPBJICUHE-UHFFFAOYSA-N
XLogP2.95
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 8-propan-2-yl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941983
methyl 5-bromo-8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate
CID 102942028
methyl 8-bromo-7-methyl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102942117
methyl 8-fluoro-4-(2-fluoroanilino)quinoline-2-carboxylate
CID 53113340
methyl 8-chloro-6-methyl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941876
methyl 8-fluoro-4-(3-fluoro-4-methylanilino)quinoline-2-carboxylate
CID 45499564
methyl 8-chloro-4-methoxyquinoline-2-carboxylate
CID 53419812
methyl 5,7-difluoro-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941854
methyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941918
methyl 4-methoxy-8-propoxyquinoline-2-carboxylate
CID 102941864
methyl 4-methoxy-[1]benzothiolo[3,2-b]pyridine-2-carboxylate
CID 10612292
methyl 8-[[8-[[8-[[8-[[8-[[8-[[8-[[8-amino-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate
CID 177484902

Frequently Asked Questions

What is the IUPAC name of methyl 8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate?
The IUPAC name of methyl 8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate (CID 102941932) is methyl 8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate.
What is the SMILES notation for methyl 8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate?
The canonical SMILES for methyl 8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate is COC(=O)c1cc(OC(C)C)c2cccc(F)c2n1.
What is the InChIKey of methyl 8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate?
The InChIKey is BXOLMYPBJICUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-8(2)19-12-7-11(14(17)18-3)16-13-9(12)5-4-6-10(13)15/h4-8H,1-3H3.
What are the key properties of methyl 8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate?
methyl 8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate has a molecular weight of 263.27 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate is sourced from PubChem (CID 102941932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).