ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate

C19H16FNO2 — CID 11594733

IUPACethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2ccccc2c1-c1ccc(F)cc1
InChIInChI=1S/C19H16FNO2/c1-3-23-19(22)17-12(2)21-16-7-5-4-6-15(16)18(17)13-8-10-14(20)11-9-13/h4-11H,3H2,1-2H3
InChIKeyCMMBRYZVMWVLDT-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.53
Rot. Bonds3

About ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate

ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate (PubChem CID 11594733) has the molecular formula C19H16FNO2 and a molecular weight of 309.34 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate
PubChem CID11594733
Molecular FormulaC19H16FNO2
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Nameethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2ccccc2c1-c1ccc(F)cc1
InChIInChI=1S/C19H16FNO2/c1-3-23-19(22)17-12(2)21-16-7-5-4-6-15(16)18(17)13-8-10-14(20)11-9-13/h4-11H,3H2,1-2H3
InChIKeyCMMBRYZVMWVLDT-UHFFFAOYSA-N
XLogP4.53
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate (CID 11594733) is ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate is CCOC(=O)c1c(C)nc2ccccc2c1-c1ccc(F)cc1.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate?
The InChIKey is CMMBRYZVMWVLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2/c1-3-23-19(22)17-12(2)21-16-7-5-4-6-15(16)18(17)13-8-10-14(20)11-9-13/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate?
ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate has a molecular weight of 309.34 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate is sourced from PubChem (CID 11594733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).