3-ethyl-7-fluoro-2-phenylquinoline-4-carboxylic acid

C18H14FNO2 — CID 43823131

IUPAC3-ethyl-7-fluoro-2-phenylquinoline-4-carboxylic acid
SMILESCCc1c(-c2ccccc2)nc2cc(F)ccc2c1C(=O)O
InChIInChI=1S/C18H14FNO2/c1-2-13-16(18(21)22)14-9-8-12(19)10-15(14)20-17(13)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,21,22)
InChIKeyCHZAWRGMHCXDRM-UHFFFAOYSA-N
MW295.31 g/mol
LogP4.30
Rot. Bonds3

About 3-ethyl-7-fluoro-2-phenylquinoline-4-carboxylic acid

3-ethyl-7-fluoro-2-phenylquinoline-4-carboxylic acid (PubChem CID 43823131) has the molecular formula C18H14FNO2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 3-ethyl-7-fluoro-2-phenylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-7-fluoro-2-phenylquinoline-4-carboxylic acid
PubChem CID43823131
Molecular FormulaC18H14FNO2
Molecular Weight295.31 g/mol
Exact Mass295.10
IUPAC Name3-ethyl-7-fluoro-2-phenylquinoline-4-carboxylic acid
SMILESCCc1c(-c2ccccc2)nc2cc(F)ccc2c1C(=O)O
InChIInChI=1S/C18H14FNO2/c1-2-13-16(18(21)22)14-9-8-12(19)10-15(14)20-17(13)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,21,22)
InChIKeyCHZAWRGMHCXDRM-UHFFFAOYSA-N
XLogP4.30
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-fluoro-2-phenylquinoline-4-carboxylic acid?
The IUPAC name of 3-ethyl-7-fluoro-2-phenylquinoline-4-carboxylic acid (CID 43823131) is 3-ethyl-7-fluoro-2-phenylquinoline-4-carboxylic acid.
What is the SMILES notation for 3-ethyl-7-fluoro-2-phenylquinoline-4-carboxylic acid?
The canonical SMILES for 3-ethyl-7-fluoro-2-phenylquinoline-4-carboxylic acid is CCc1c(-c2ccccc2)nc2cc(F)ccc2c1C(=O)O.
What is the InChIKey of 3-ethyl-7-fluoro-2-phenylquinoline-4-carboxylic acid?
The InChIKey is CHZAWRGMHCXDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2/c1-2-13-16(18(21)22)14-9-8-12(19)10-15(14)20-17(13)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,21,22).
What are the key properties of 3-ethyl-7-fluoro-2-phenylquinoline-4-carboxylic acid?
3-ethyl-7-fluoro-2-phenylquinoline-4-carboxylic acid has a molecular weight of 295.31 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-fluoro-2-phenylquinoline-4-carboxylic acid is sourced from PubChem (CID 43823131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).