2-(1,3-benzodioxol-5-yl)quinoline-4-carboxylic acid

Name: 2-(1,3-benzodioxol-5-yl)quinoline-4-carboxylic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₁₁NO₄ — CID 673730

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-(1,3-benzodioxol-5-yl)quinoline-4-carboxylic acid

SMILESO=C(O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12

InChIInChI=1S/C17H11NO4/c19-17(20)12-8-14(18-13-4-2-1-3-11(12)13)10-5-6-15-16(7-10)22-9-21-15/h1-8H,9H2,(H,19,20)

InChIKeyHPOVLKMMKKJBON-UHFFFAOYSA-N

MW293.28 g/mol

LogP3.33

Rot. Bonds2

About 2-(1,3-benzodioxol-5-yl)quinoline-4-carboxylic acid

2-(1,3-benzodioxol-5-yl)quinoline-4-carboxylic acid (PubChem CID 673730) has the molecular formula C₁₇H₁₁NO₄ and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name	2-(1,3-benzodioxol-5-yl)quinoline-4-carboxylic acid
PubChem CID	673730
Molecular Formula	C₁₇H₁₁NO₄
Molecular Weight	293.28 g/mol
Exact Mass	293.07
IUPAC Name	2-(1,3-benzodioxol-5-yl)quinoline-4-carboxylic acid
SMILES	O=C(O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12
InChI	InChI=1S/C17H11NO4/c19-17(20)12-8-14(18-13-4-2-1-3-11(12)13)10-5-6-15-16(7-10)22-9-21-15/h1-8H,9H2,(H,19,20)
InChIKey	HPOVLKMMKKJBON-UHFFFAOYSA-N
XLogP	3.33
TPSA	68.65 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.28
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)quinoline-4-carboxylic acid?

The IUPAC name of 2-(1,3-benzodioxol-5-yl)quinoline-4-carboxylic acid (CID 673730) is 2-(1,3-benzodioxol-5-yl)quinoline-4-carboxylic acid.

What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)quinoline-4-carboxylic acid?

The canonical SMILES for 2-(1,3-benzodioxol-5-yl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12.

What is the InChIKey of 2-(1,3-benzodioxol-5-yl)quinoline-4-carboxylic acid?

The InChIKey is HPOVLKMMKKJBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO4/c19-17(20)12-8-14(18-13-4-2-1-3-11(12)13)10-5-6-15-16(7-10)22-9-21-15/h1-8H,9H2,(H,19,20).

What are the key properties of 2-(1,3-benzodioxol-5-yl)quinoline-4-carboxylic acid?

2-(1,3-benzodioxol-5-yl)quinoline-4-carboxylic acid has a molecular weight of 293.28 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzodioxol-5-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 673730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 673730 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.