ethyl 4-(2-fluorophenyl)-2,3-dimethylquinoline-6-carboxylate

C20H18FNO2 — CID 67961169

IUPACethyl 4-(2-fluorophenyl)-2,3-dimethylquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(C)c(C)c(-c3ccccc3F)c2c1
InChIInChI=1S/C20H18FNO2/c1-4-24-20(23)14-9-10-18-16(11-14)19(12(2)13(3)22-18)15-7-5-6-8-17(15)21/h5-11H,4H2,1-3H3
InChIKeyNRPQWMDEVNXRIF-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.83
Rot. Bonds3

About ethyl 4-(2-fluorophenyl)-2,3-dimethylquinoline-6-carboxylate

ethyl 4-(2-fluorophenyl)-2,3-dimethylquinoline-6-carboxylate (PubChem CID 67961169) has the molecular formula C20H18FNO2 and a molecular weight of 323.37 g/mol. Its IUPAC name is ethyl 4-(2-fluorophenyl)-2,3-dimethylquinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-fluorophenyl)-2,3-dimethylquinoline-6-carboxylate
PubChem CID67961169
Molecular FormulaC20H18FNO2
Molecular Weight323.37 g/mol
Exact Mass323.13
IUPAC Nameethyl 4-(2-fluorophenyl)-2,3-dimethylquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(C)c(C)c(-c3ccccc3F)c2c1
InChIInChI=1S/C20H18FNO2/c1-4-24-20(23)14-9-10-18-16(11-14)19(12(2)13(3)22-18)15-7-5-6-8-17(15)21/h5-11H,4H2,1-3H3
InChIKeyNRPQWMDEVNXRIF-UHFFFAOYSA-N
XLogP4.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-fluorophenyl)-2,3-dimethylquinoline-6-carboxylate?
The IUPAC name of ethyl 4-(2-fluorophenyl)-2,3-dimethylquinoline-6-carboxylate (CID 67961169) is ethyl 4-(2-fluorophenyl)-2,3-dimethylquinoline-6-carboxylate.
What is the SMILES notation for ethyl 4-(2-fluorophenyl)-2,3-dimethylquinoline-6-carboxylate?
The canonical SMILES for ethyl 4-(2-fluorophenyl)-2,3-dimethylquinoline-6-carboxylate is CCOC(=O)c1ccc2nc(C)c(C)c(-c3ccccc3F)c2c1.
What is the InChIKey of ethyl 4-(2-fluorophenyl)-2,3-dimethylquinoline-6-carboxylate?
The InChIKey is NRPQWMDEVNXRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2/c1-4-24-20(23)14-9-10-18-16(11-14)19(12(2)13(3)22-18)15-7-5-6-8-17(15)21/h5-11H,4H2,1-3H3.
What are the key properties of ethyl 4-(2-fluorophenyl)-2,3-dimethylquinoline-6-carboxylate?
ethyl 4-(2-fluorophenyl)-2,3-dimethylquinoline-6-carboxylate has a molecular weight of 323.37 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-fluorophenyl)-2,3-dimethylquinoline-6-carboxylate is sourced from PubChem (CID 67961169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).