2,3-dimethoxy-4-(4-methoxyphenyl)quinoline-7-carboxylic acid

C19H17NO5 — CID 67754522

IUPAC2,3-dimethoxy-4-(4-methoxyphenyl)quinoline-7-carboxylic acid
SMILESCOc1ccc(-c2c(OC)c(OC)nc3cc(C(=O)O)ccc23)cc1
InChIInChI=1S/C19H17NO5/c1-23-13-7-4-11(5-8-13)16-14-9-6-12(19(21)22)10-15(14)20-18(25-3)17(16)24-2/h4-10H,1-3H3,(H,21,22)
InChIKeyVTFMYJKPMLPPRB-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.63
Rot. Bonds5

About 2,3-dimethoxy-4-(4-methoxyphenyl)quinoline-7-carboxylic acid

2,3-dimethoxy-4-(4-methoxyphenyl)quinoline-7-carboxylic acid (PubChem CID 67754522) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2,3-dimethoxy-4-(4-methoxyphenyl)quinoline-7-carboxylic acid.

Molecular Properties

Compound Name2,3-dimethoxy-4-(4-methoxyphenyl)quinoline-7-carboxylic acid
PubChem CID67754522
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name2,3-dimethoxy-4-(4-methoxyphenyl)quinoline-7-carboxylic acid
SMILESCOc1ccc(-c2c(OC)c(OC)nc3cc(C(=O)O)ccc23)cc1
InChIInChI=1S/C19H17NO5/c1-23-13-7-4-11(5-8-13)16-14-9-6-12(19(21)22)10-15(14)20-18(25-3)17(16)24-2/h4-10H,1-3H3,(H,21,22)
InChIKeyVTFMYJKPMLPPRB-UHFFFAOYSA-N
XLogP3.63
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethoxyquinoline-7-carboxylic acid
CID 67754459
3-hydroxy-4-(4-methoxyphenyl)benzoic acid
CID 53225437
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
acetic acid;1,3-dimethoxyisoquinoline-7-carboxylic acid
CID 174490545
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
5-[4-(3,5-dicarboxyphenyl)-2,3,5,6-tetramethoxyphenyl]benzene-1,3-dicarboxylic acid
CID 163207086
2-methoxy-3-(propan-2-ylamino)quinoxaline-6-carboxylic acid
CID 138525691
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
3-methoxy-4-(4-methoxyphenyl)-5-methylbenzoic acid
CID 54447835
1-methoxy-4-methylisoquinoline-7-carboxylic acid
CID 115063680
4-(4-methoxyanilino)-2,3-dioxo-1H-pyrrolo[3,2-c]quinoline-7-carboxylic acid
CID 171470650

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-4-(4-methoxyphenyl)quinoline-7-carboxylic acid?
The IUPAC name of 2,3-dimethoxy-4-(4-methoxyphenyl)quinoline-7-carboxylic acid (CID 67754522) is 2,3-dimethoxy-4-(4-methoxyphenyl)quinoline-7-carboxylic acid.
What is the SMILES notation for 2,3-dimethoxy-4-(4-methoxyphenyl)quinoline-7-carboxylic acid?
The canonical SMILES for 2,3-dimethoxy-4-(4-methoxyphenyl)quinoline-7-carboxylic acid is COc1ccc(-c2c(OC)c(OC)nc3cc(C(=O)O)ccc23)cc1.
What is the InChIKey of 2,3-dimethoxy-4-(4-methoxyphenyl)quinoline-7-carboxylic acid?
The InChIKey is VTFMYJKPMLPPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-23-13-7-4-11(5-8-13)16-14-9-6-12(19(21)22)10-15(14)20-18(25-3)17(16)24-2/h4-10H,1-3H3,(H,21,22).
What are the key properties of 2,3-dimethoxy-4-(4-methoxyphenyl)quinoline-7-carboxylic acid?
2,3-dimethoxy-4-(4-methoxyphenyl)quinoline-7-carboxylic acid has a molecular weight of 339.35 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-4-(4-methoxyphenyl)quinoline-7-carboxylic acid is sourced from PubChem (CID 67754522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).