potassium 2-(3-ethoxyphenyl)-8-methylquinoline-4-carboxylate

C19H16KNO3 — CID 23686845

IUPACpotassium 2-(3-ethoxyphenyl)-8-methylquinoline-4-carboxylate
SMILESCCOc1cccc(-c2cc(C(=O)[O-])c3cccc(C)c3n2)c1.[K+]
InChIInChI=1S/C19H17NO3.K/c1-3-23-14-8-5-7-13(10-14)17-11-16(19(21)22)15-9-4-6-12(2)18(15)20-17;/h4-11H,3H2,1-2H3,(H,21,22);/q;+1/p-1
InChIKeyHIXJVCBFTNXWRP-UHFFFAOYSA-M
MW345.44 g/mol
LogP-0.02
Rot. Bonds4

About potassium 2-(3-ethoxyphenyl)-8-methylquinoline-4-carboxylate

potassium 2-(3-ethoxyphenyl)-8-methylquinoline-4-carboxylate (PubChem CID 23686845) has the molecular formula C19H16KNO3 and a molecular weight of 345.44 g/mol. Its IUPAC name is potassium 2-(3-ethoxyphenyl)-8-methylquinoline-4-carboxylate.

Molecular Properties

Compound Namepotassium 2-(3-ethoxyphenyl)-8-methylquinoline-4-carboxylate
PubChem CID23686845
Molecular FormulaC19H16KNO3
Molecular Weight345.44 g/mol
Exact Mass345.08
IUPAC Namepotassium 2-(3-ethoxyphenyl)-8-methylquinoline-4-carboxylate
SMILESCCOc1cccc(-c2cc(C(=O)[O-])c3cccc(C)c3n2)c1.[K+]
InChIInChI=1S/C19H17NO3.K/c1-3-23-14-8-5-7-13(10-14)17-11-16(19(21)22)15-9-4-6-12(2)18(15)20-17;/h4-11H,3H2,1-2H3,(H,21,22);/q;+1/p-1
InChIKeyHIXJVCBFTNXWRP-UHFFFAOYSA-M
XLogP-0.02
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 4746270
2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate
CID 6975057
2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid
CID 7139832
8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate
CID 7139650
2-(3,4-diethoxyphenyl)-8-methylquinoline-4-carboxylic acid
CID 7139654
7-chloro-2-(3-ethoxyphenyl)-8-methylquinoline-4-carbonyl chloride
CID 46779458
2-(2-methoxynaphthalen-1-yl)-8-methylquinoline-4-carboxylate
CID 7139665
6,8-dimethyl-2-(3-propoxyphenyl)quinoline-4-carbonyl chloride
CID 46779387
8-methyl-2-(4-pentoxyphenyl)quinoline-4-carboxylic acid
CID 7139668
8-methoxy-2-(3-propoxyphenyl)quinoline-4-carboxylic acid
CID 7139834
6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 7048477
1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone
CID 82453012

Frequently Asked Questions

What is the IUPAC name of potassium 2-(3-ethoxyphenyl)-8-methylquinoline-4-carboxylate?
The IUPAC name of potassium 2-(3-ethoxyphenyl)-8-methylquinoline-4-carboxylate (CID 23686845) is potassium 2-(3-ethoxyphenyl)-8-methylquinoline-4-carboxylate.
What is the SMILES notation for potassium 2-(3-ethoxyphenyl)-8-methylquinoline-4-carboxylate?
The canonical SMILES for potassium 2-(3-ethoxyphenyl)-8-methylquinoline-4-carboxylate is CCOc1cccc(-c2cc(C(=O)[O-])c3cccc(C)c3n2)c1.[K+].
What is the InChIKey of potassium 2-(3-ethoxyphenyl)-8-methylquinoline-4-carboxylate?
The InChIKey is HIXJVCBFTNXWRP-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H17NO3.K/c1-3-23-14-8-5-7-13(10-14)17-11-16(19(21)22)15-9-4-6-12(2)18(15)20-17;/h4-11H,3H2,1-2H3,(H,21,22);/q;+1/p-1.
What are the key properties of potassium 2-(3-ethoxyphenyl)-8-methylquinoline-4-carboxylate?
potassium 2-(3-ethoxyphenyl)-8-methylquinoline-4-carboxylate has a molecular weight of 345.44 g/mol, XLogP of -0.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(3-ethoxyphenyl)-8-methylquinoline-4-carboxylate is sourced from PubChem (CID 23686845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).