3H-indeno[4,5-h]quinoline-7-carboxylic acid

C17H11NO2 — CID 141208489

IUPAC3H-indeno[4,5-h]quinoline-7-carboxylic acid
SMILESO=C(O)c1cnc2c(ccc3c4c(ccc32)C=CC4)c1
InChIInChI=1S/C17H11NO2/c19-17(20)12-8-11-5-6-14-13-3-1-2-10(13)4-7-15(14)16(11)18-9-12/h1-2,4-9H,3H2,(H,19,20)
InChIKeyIWSJYUNXWLUQRC-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.66
Rot. Bonds1

About 3H-indeno[4,5-h]quinoline-7-carboxylic acid

3H-indeno[4,5-h]quinoline-7-carboxylic acid (PubChem CID 141208489) has the molecular formula C17H11NO2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3H-indeno[4,5-h]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name3H-indeno[4,5-h]quinoline-7-carboxylic acid
PubChem CID141208489
Molecular FormulaC17H11NO2
Molecular Weight261.28 g/mol
Exact Mass261.08
IUPAC Name3H-indeno[4,5-h]quinoline-7-carboxylic acid
SMILESO=C(O)c1cnc2c(ccc3c4c(ccc32)C=CC4)c1
InChIInChI=1S/C17H11NO2/c19-17(20)12-8-11-5-6-14-13-3-1-2-10(13)4-7-15(14)16(11)18-9-12/h1-2,4-9H,3H2,(H,19,20)
InChIKeyIWSJYUNXWLUQRC-UHFFFAOYSA-N
XLogP3.66
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3H-indeno[4,5-h]quinoline-7-carboxylic acid?
The IUPAC name of 3H-indeno[4,5-h]quinoline-7-carboxylic acid (CID 141208489) is 3H-indeno[4,5-h]quinoline-7-carboxylic acid.
What is the SMILES notation for 3H-indeno[4,5-h]quinoline-7-carboxylic acid?
The canonical SMILES for 3H-indeno[4,5-h]quinoline-7-carboxylic acid is O=C(O)c1cnc2c(ccc3c4c(ccc32)C=CC4)c1.
What is the InChIKey of 3H-indeno[4,5-h]quinoline-7-carboxylic acid?
The InChIKey is IWSJYUNXWLUQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2/c19-17(20)12-8-11-5-6-14-13-3-1-2-10(13)4-7-15(14)16(11)18-9-12/h1-2,4-9H,3H2,(H,19,20).
What are the key properties of 3H-indeno[4,5-h]quinoline-7-carboxylic acid?
3H-indeno[4,5-h]quinoline-7-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-indeno[4,5-h]quinoline-7-carboxylic acid is sourced from PubChem (CID 141208489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).