8-methoxy-2-(3-propoxyphenyl)quinoline-4-carboxylic acid

C20H19NO4 — CID 7139834

IUPAC8-methoxy-2-(3-propoxyphenyl)quinoline-4-carboxylic acid
SMILESCCCOc1cccc(-c2cc(C(=O)O)c3cccc(OC)c3n2)c1
InChIInChI=1S/C20H19NO4/c1-3-10-25-14-7-4-6-13(11-14)17-12-16(20(22)23)15-8-5-9-18(24-2)19(15)21-17/h4-9,11-12H,3,10H2,1-2H3,(H,22,23)
InChIKeyDJIAYOIPKSQTNF-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.40
Rot. Bonds6

About 8-methoxy-2-(3-propoxyphenyl)quinoline-4-carboxylic acid

8-methoxy-2-(3-propoxyphenyl)quinoline-4-carboxylic acid (PubChem CID 7139834) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 8-methoxy-2-(3-propoxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-2-(3-propoxyphenyl)quinoline-4-carboxylic acid
PubChem CID7139834
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name8-methoxy-2-(3-propoxyphenyl)quinoline-4-carboxylic acid
SMILESCCCOc1cccc(-c2cc(C(=O)O)c3cccc(OC)c3n2)c1
InChIInChI=1S/C20H19NO4/c1-3-10-25-14-7-4-6-13(11-14)17-12-16(20(22)23)15-8-5-9-18(24-2)19(15)21-17/h4-9,11-12H,3,10H2,1-2H3,(H,22,23)
InChIKeyDJIAYOIPKSQTNF-UHFFFAOYSA-N
XLogP4.40
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid
CID 7139832
2-(3-bromo-5-methoxy-4-propoxyphenyl)-8-methoxyquinoline-4-carboxylic acid
CID 7139876
6,8-dimethyl-2-(3-propoxyphenyl)quinoline-4-carbonyl chloride
CID 46779387
2-(3-methoxy-4-pentoxyphenyl)-8-methylquinoline-4-carboxylic acid
CID 7139672
8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid
CID 5079636
8-methyl-2-(4-pentoxyphenyl)quinoline-4-carboxylic acid
CID 7139668
2-(3-propoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 5103750
2-methoxy-5-propoxybenzoic acid
CID 82265622
2-(3-butoxyphenyl)quinoline-4-carbohydrazide
CID 3492380
2-(3-bromo-5-methoxy-4-pentoxyphenyl)-8-methoxyquinoline-4-carboxylate
CID 7139869
potassium 2-(3-ethoxyphenyl)-8-methylquinoline-4-carboxylate
CID 23686845
N-(4-methoxy-2-nitrophenyl)-2-(3-propoxyphenyl)quinoline-4-carboxamide
CID 3304811

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-(3-propoxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 8-methoxy-2-(3-propoxyphenyl)quinoline-4-carboxylic acid (CID 7139834) is 8-methoxy-2-(3-propoxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 8-methoxy-2-(3-propoxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 8-methoxy-2-(3-propoxyphenyl)quinoline-4-carboxylic acid is CCCOc1cccc(-c2cc(C(=O)O)c3cccc(OC)c3n2)c1.
What is the InChIKey of 8-methoxy-2-(3-propoxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is DJIAYOIPKSQTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-3-10-25-14-7-4-6-13(11-14)17-12-16(20(22)23)15-8-5-9-18(24-2)19(15)21-17/h4-9,11-12H,3,10H2,1-2H3,(H,22,23).
What are the key properties of 8-methoxy-2-(3-propoxyphenyl)quinoline-4-carboxylic acid?
8-methoxy-2-(3-propoxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-(3-propoxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 7139834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).