6-ethyl-2-(5-fluoro-2-methoxyphenyl)quinoline-4-carboxylic acid

C19H16FNO3 — CID 4538129

IUPAC6-ethyl-2-(5-fluoro-2-methoxyphenyl)quinoline-4-carboxylic acid
SMILESCCc1ccc2nc(-c3cc(F)ccc3OC)cc(C(=O)O)c2c1
InChIInChI=1S/C19H16FNO3/c1-3-11-4-6-16-13(8-11)14(19(22)23)10-17(21-16)15-9-12(20)5-7-18(15)24-2/h4-10H,3H2,1-2H3,(H,22,23)
InChIKeyPXNXGQNIJLWJKK-UHFFFAOYSA-N
MW325.34 g/mol
LogP4.31
Rot. Bonds4

About 6-ethyl-2-(5-fluoro-2-methoxyphenyl)quinoline-4-carboxylic acid

6-ethyl-2-(5-fluoro-2-methoxyphenyl)quinoline-4-carboxylic acid (PubChem CID 4538129) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is 6-ethyl-2-(5-fluoro-2-methoxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-2-(5-fluoro-2-methoxyphenyl)quinoline-4-carboxylic acid
PubChem CID4538129
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Name6-ethyl-2-(5-fluoro-2-methoxyphenyl)quinoline-4-carboxylic acid
SMILESCCc1ccc2nc(-c3cc(F)ccc3OC)cc(C(=O)O)c2c1
InChIInChI=1S/C19H16FNO3/c1-3-11-4-6-16-13(8-11)14(19(22)23)10-17(21-16)15-9-12(20)5-7-18(15)24-2/h4-10H,3H2,1-2H3,(H,22,23)
InChIKeyPXNXGQNIJLWJKK-UHFFFAOYSA-N
XLogP4.31
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 4619139
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
5-ethyl-2-methoxybenzoic acid
CID 20721149
2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid
CID 4021744
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955
2-(5-bromothiophen-2-yl)-6-ethylquinoline-4-carboxylic acid
CID 63463304
2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid
CID 3441823
2-(2,4-dimethoxyphenyl)-6-fluoro-N-propylquinoline-4-carboxamide
CID 42750246
2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid
CID 5238835
2-(2-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid
CID 3357522
2-bromo-6-ethylquinoline-4-carboxylic acid
CID 82184197
6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 860396

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(5-fluoro-2-methoxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-ethyl-2-(5-fluoro-2-methoxyphenyl)quinoline-4-carboxylic acid (CID 4538129) is 6-ethyl-2-(5-fluoro-2-methoxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-ethyl-2-(5-fluoro-2-methoxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-ethyl-2-(5-fluoro-2-methoxyphenyl)quinoline-4-carboxylic acid is CCc1ccc2nc(-c3cc(F)ccc3OC)cc(C(=O)O)c2c1.
What is the InChIKey of 6-ethyl-2-(5-fluoro-2-methoxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is PXNXGQNIJLWJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3/c1-3-11-4-6-16-13(8-11)14(19(22)23)10-17(21-16)15-9-12(20)5-7-18(15)24-2/h4-10H,3H2,1-2H3,(H,22,23).
What are the key properties of 6-ethyl-2-(5-fluoro-2-methoxyphenyl)quinoline-4-carboxylic acid?
6-ethyl-2-(5-fluoro-2-methoxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 325.34 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(5-fluoro-2-methoxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 4538129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).