4H-benzo[a]quinolizine-3-carboxylic acid

C14H11NO2 — CID 135314294

IUPAC4H-benzo[a]quinolizine-3-carboxylic acid
SMILESO=C(O)C1=CC=C2c3ccccc3C=CN2C1
InChIInChI=1S/C14H11NO2/c16-14(17)11-5-6-13-12-4-2-1-3-10(12)7-8-15(13)9-11/h1-8H,9H2,(H,16,17)
InChIKeyYXYFTRWMMINRAN-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.34
Rot. Bonds1

About 4H-benzo[a]quinolizine-3-carboxylic acid

4H-benzo[a]quinolizine-3-carboxylic acid (PubChem CID 135314294) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4H-benzo[a]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name4H-benzo[a]quinolizine-3-carboxylic acid
PubChem CID135314294
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name4H-benzo[a]quinolizine-3-carboxylic acid
SMILESO=C(O)C1=CC=C2c3ccccc3C=CN2C1
InChIInChI=1S/C14H11NO2/c16-14(17)11-5-6-13-12-4-2-1-3-10(12)7-8-15(13)9-11/h1-8H,9H2,(H,16,17)
InChIKeyYXYFTRWMMINRAN-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4H-benzo[a]quinolizine-3-carboxylic acid?
The IUPAC name of 4H-benzo[a]quinolizine-3-carboxylic acid (CID 135314294) is 4H-benzo[a]quinolizine-3-carboxylic acid.
What is the SMILES notation for 4H-benzo[a]quinolizine-3-carboxylic acid?
The canonical SMILES for 4H-benzo[a]quinolizine-3-carboxylic acid is O=C(O)C1=CC=C2c3ccccc3C=CN2C1.
What is the InChIKey of 4H-benzo[a]quinolizine-3-carboxylic acid?
The InChIKey is YXYFTRWMMINRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c16-14(17)11-5-6-13-12-4-2-1-3-10(12)7-8-15(13)9-11/h1-8H,9H2,(H,16,17).
What are the key properties of 4H-benzo[a]quinolizine-3-carboxylic acid?
4H-benzo[a]quinolizine-3-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-benzo[a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 135314294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).