methyl 5,7-difluoro-4-propan-2-yloxyquinoline-2-carboxylate

C14H13F2NO3 — CID 102941854

IUPACmethyl 5,7-difluoro-4-propan-2-yloxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OC(C)C)c2c(F)cc(F)cc2n1
InChIInChI=1S/C14H13F2NO3/c1-7(2)20-12-6-11(14(18)19-3)17-10-5-8(15)4-9(16)13(10)12/h4-7H,1-3H3
InChIKeyLELXTFCQGIMCCD-UHFFFAOYSA-N
MW281.26 g/mol
LogP3.09
Rot. Bonds3

About methyl 5,7-difluoro-4-propan-2-yloxyquinoline-2-carboxylate

methyl 5,7-difluoro-4-propan-2-yloxyquinoline-2-carboxylate (PubChem CID 102941854) has the molecular formula C14H13F2NO3 and a molecular weight of 281.26 g/mol. Its IUPAC name is methyl 5,7-difluoro-4-propan-2-yloxyquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 5,7-difluoro-4-propan-2-yloxyquinoline-2-carboxylate
PubChem CID102941854
Molecular FormulaC14H13F2NO3
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC Namemethyl 5,7-difluoro-4-propan-2-yloxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OC(C)C)c2c(F)cc(F)cc2n1
InChIInChI=1S/C14H13F2NO3/c1-7(2)20-12-6-11(14(18)19-3)17-10-5-8(15)4-9(16)13(10)12/h4-7H,1-3H3
InChIKeyLELXTFCQGIMCCD-UHFFFAOYSA-N
XLogP3.09
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-bromo-8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate
CID 102942028
methyl 8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941932
methyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941918
4-(carboxymethoxy)-5,7-difluoroquinoline-2-carboxylic acid
CID 15166959
methyl 8-chloro-6-methyl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941876
methyl 8-propan-2-yl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941983
methyl 4-ethoxy-6,7-difluoroquinoline-2-carboxylate
CID 102941956
methyl 8-bromo-7-methyl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102942117
methyl 4-ethoxy-5,7,8-trifluoroquinoline-2-carboxylate
CID 102942041
methyl 4-chloro-5,7-difluoroquinoline-3-carboxylate
CID 102614340
methyl 5,7-dimethoxy-4-propan-2-yloxynaphthalene-2-carboxylate
CID 10040709
methyl 4-chloro-6,7-difluoroquinoline-2-carboxylate
CID 63376942

Frequently Asked Questions

What is the IUPAC name of methyl 5,7-difluoro-4-propan-2-yloxyquinoline-2-carboxylate?
The IUPAC name of methyl 5,7-difluoro-4-propan-2-yloxyquinoline-2-carboxylate (CID 102941854) is methyl 5,7-difluoro-4-propan-2-yloxyquinoline-2-carboxylate.
What is the SMILES notation for methyl 5,7-difluoro-4-propan-2-yloxyquinoline-2-carboxylate?
The canonical SMILES for methyl 5,7-difluoro-4-propan-2-yloxyquinoline-2-carboxylate is COC(=O)c1cc(OC(C)C)c2c(F)cc(F)cc2n1.
What is the InChIKey of methyl 5,7-difluoro-4-propan-2-yloxyquinoline-2-carboxylate?
The InChIKey is LELXTFCQGIMCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO3/c1-7(2)20-12-6-11(14(18)19-3)17-10-5-8(15)4-9(16)13(10)12/h4-7H,1-3H3.
What are the key properties of methyl 5,7-difluoro-4-propan-2-yloxyquinoline-2-carboxylate?
methyl 5,7-difluoro-4-propan-2-yloxyquinoline-2-carboxylate has a molecular weight of 281.26 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,7-difluoro-4-propan-2-yloxyquinoline-2-carboxylate is sourced from PubChem (CID 102941854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).