(2-ethyl-6,7-difluoro-3-methylquinolin-4-yl) cyclopropanecarboxylate

C16H15F2NO2 — CID 22222485

IUPAC(2-ethyl-6,7-difluoro-3-methylquinolin-4-yl) cyclopropanecarboxylate
SMILESCCc1nc2cc(F)c(F)cc2c(OC(=O)C2CC2)c1C
InChIInChI=1S/C16H15F2NO2/c1-3-13-8(2)15(21-16(20)9-4-5-9)10-6-11(17)12(18)7-14(10)19-13/h6-7,9H,3-5H2,1-2H3
InChIKeyGBJBYCUNPFZNFT-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.70
Rot. Bonds3

About (2-ethyl-6,7-difluoro-3-methylquinolin-4-yl) cyclopropanecarboxylate

(2-ethyl-6,7-difluoro-3-methylquinolin-4-yl) cyclopropanecarboxylate (PubChem CID 22222485) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is (2-ethyl-6,7-difluoro-3-methylquinolin-4-yl) cyclopropanecarboxylate.

Molecular Properties

Compound Name(2-ethyl-6,7-difluoro-3-methylquinolin-4-yl) cyclopropanecarboxylate
PubChem CID22222485
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name(2-ethyl-6,7-difluoro-3-methylquinolin-4-yl) cyclopropanecarboxylate
SMILESCCc1nc2cc(F)c(F)cc2c(OC(=O)C2CC2)c1C
InChIInChI=1S/C16H15F2NO2/c1-3-13-8(2)15(21-16(20)9-4-5-9)10-6-11(17)12(18)7-14(10)19-13/h6-7,9H,3-5H2,1-2H3
InChIKeyGBJBYCUNPFZNFT-UHFFFAOYSA-N
XLogP3.70
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-6,7-difluoro-3-methylquinolin-4-yl) cyclopropanecarboxylate?
The IUPAC name of (2-ethyl-6,7-difluoro-3-methylquinolin-4-yl) cyclopropanecarboxylate (CID 22222485) is (2-ethyl-6,7-difluoro-3-methylquinolin-4-yl) cyclopropanecarboxylate.
What is the SMILES notation for (2-ethyl-6,7-difluoro-3-methylquinolin-4-yl) cyclopropanecarboxylate?
The canonical SMILES for (2-ethyl-6,7-difluoro-3-methylquinolin-4-yl) cyclopropanecarboxylate is CCc1nc2cc(F)c(F)cc2c(OC(=O)C2CC2)c1C.
What is the InChIKey of (2-ethyl-6,7-difluoro-3-methylquinolin-4-yl) cyclopropanecarboxylate?
The InChIKey is GBJBYCUNPFZNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-3-13-8(2)15(21-16(20)9-4-5-9)10-6-11(17)12(18)7-14(10)19-13/h6-7,9H,3-5H2,1-2H3.
What are the key properties of (2-ethyl-6,7-difluoro-3-methylquinolin-4-yl) cyclopropanecarboxylate?
(2-ethyl-6,7-difluoro-3-methylquinolin-4-yl) cyclopropanecarboxylate has a molecular weight of 291.30 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-6,7-difluoro-3-methylquinolin-4-yl) cyclopropanecarboxylate is sourced from PubChem (CID 22222485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).