7-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid

C19H15NO6 — CID 3162459

IUPAC7-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)c3cc4c(cc3n2)OCCO4)ccc1O
InChIInChI=1S/C19H15NO6/c1-24-16-6-10(2-3-15(16)21)13-7-12(19(22)23)11-8-17-18(9-14(11)20-13)26-5-4-25-17/h2-3,6-9,21H,4-5H2,1H3,(H,22,23)
InChIKeyKICXILDLEWIPBJ-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.09
Rot. Bonds3

About 7-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid

7-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid (PubChem CID 3162459) has the molecular formula C19H15NO6 and a molecular weight of 353.33 g/mol. Its IUPAC name is 7-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid.

Molecular Properties

Compound Name7-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
PubChem CID3162459
Molecular FormulaC19H15NO6
Molecular Weight353.33 g/mol
Exact Mass353.09
IUPAC Name7-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)c3cc4c(cc3n2)OCCO4)ccc1O
InChIInChI=1S/C19H15NO6/c1-24-16-6-10(2-3-15(16)21)13-7-12(19(22)23)11-8-17-18(9-14(11)20-13)26-5-4-25-17/h2-3,6-9,21H,4-5H2,1H3,(H,22,23)
InChIKeyKICXILDLEWIPBJ-UHFFFAOYSA-N
XLogP3.09
TPSA98.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Ethoxyphenyl)quinoline-4-carboxylic acid
CID 673734
6-Methoxy-2-methylquinoline-4-carboxylic acid
CID 652347
6-Methoxy-2-phenyl-4-quinolinecarboxylic acid
CID 237402
2-(3,4-Dimethoxyphenyl)quinoline-4-carboxylic acid
CID 673703
2-(4-Methoxyphenyl)quinoline-4-carboxylic acid
CID 676325
4-(6,7-Dimethoxy-quinolin-3-yl)-benzoic acid
CID 10244811
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethoxyphenyl)-4-quinolinecarboxamide
CID 1219675
2-(4-Propoxyphenyl)quinoline-4-carboxylic acid
CID 1913233
2-(1,3-Benzodioxol-5-yl)quinoline-4-carboxylic acid
CID 673730
2-(2,4-Diethoxyphenyl)quinoline-4-carboxylic acid
CID 753136
3-[(3,4-dimethoxyphenyl)methylidene]-1H,2H,3H-cyclopenta[b]quinoline-9-carboxylic acid
CID 6533452
(4-t-Butylphenyl){4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}methanone
CID 9932979

Frequently Asked Questions

What is the IUPAC name of 7-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid?
The IUPAC name of 7-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid (CID 3162459) is 7-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid.
What is the SMILES notation for 7-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid?
The canonical SMILES for 7-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid is COc1cc(-c2cc(C(=O)O)c3cc4c(cc3n2)OCCO4)ccc1O.
What is the InChIKey of 7-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid?
The InChIKey is KICXILDLEWIPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO6/c1-24-16-6-10(2-3-15(16)21)13-7-12(19(22)23)11-8-17-18(9-14(11)20-13)26-5-4-25-17/h2-3,6-9,21H,4-5H2,1H3,(H,22,23).
What are the key properties of 7-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid?
7-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid has a molecular weight of 353.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid is sourced from PubChem (CID 3162459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).