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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Related Compounds

1H-pyrrolo[3,2-h]quinoline-7-carboxylic acid
CID 96613315
7,8-dihydro-1,7-phenanthroline-3-carboxylic acid
CID 70579322
1,8-dihydro-as-indacene
CID 11030043
8-bromoquinoline-3-carboxylic acid;hydrate
CID 71710960
15H-cyclopenta[a]phenanthrene;methane
CID 158927443
8-fluoroquinoline-3-carboxylic acid;hydrate
CID 90668422
quinoline-3,5,6,7,8-pentacarboxylic acid
CID 22158723
quinoline-3,5,7,8-tetracarboxylic acid
CID 22158765
1,10-phenanthroline-3,8-dicarbonyl chloride
CID 59027322
8-(dimethylamino)quinoline-3-carboxylic acid
CID 105469716
8-methylsulfanylquinoline-3-carboxylic acid
CID 126609848
7H-cyclopenta[b]pyridine-3-carboxylic acid;N-[2-(7H-cyclopenta[b]pyridin-3-yl)-2-oxoethyl]acetamide
CID 157377640

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).