9bH-benzo[de]quinoline

C12H9N — CID 57001454

IUPAC9bH-benzo[de]quinoline
SMILESC1=CC2=CC=NC3=CC=CC(=C1)C23
InChIInChI=1S/C12H9N/c1-3-9-5-2-6-11-12(9)10(4-1)7-8-13-11/h1-8,12H
InChIKeyFBWACLVQZNGKGP-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.50
Rot. Bonds

About 9bH-benzo[de]quinoline

9bH-benzo[de]quinoline (PubChem CID 57001454) has the molecular formula C12H9N and a molecular weight of 167.21 g/mol. Its IUPAC name is 9bH-benzo[de]quinoline.

Molecular Properties

Compound Name9bH-benzo[de]quinoline
PubChem CID57001454
Molecular FormulaC12H9N
Molecular Weight167.21 g/mol
Exact Mass167.07
IUPAC Name9bH-benzo[de]quinoline
SMILESC1=CC2=CC=NC3=CC=CC(=C1)C23
InChIInChI=1S/C12H9N/c1-3-9-5-2-6-11-12(9)10(4-1)7-8-13-11/h1-8,12H
InChIKeyFBWACLVQZNGKGP-UHFFFAOYSA-N
XLogP1.50
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity428

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9bH-benzo[de]quinoline 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

Tetrahydroquinoline
CID 94356
9bH-perimidine
CID 9548744
6h,7h-Quinoline
CID 67835501
4a,5,6,7-Tetrahydroquinoline
CID 77755842
7-Fluoro-6-propan-2-yl-6,7-dihydroquinoline
CID 89318114
7-Fluoro-8-(fluoromethyl)-4a,5-dihydroquinoline
CID 164006747
2-Azaphenalenyl
CID 12996720
7aH-pyrazino[2,1-a]isoquinoline
CID 90945867
10a,10b-Dihydrobenzo[f]quinoline
CID 91482637
Benzo[f]pyridoindole
CID 129821911
(10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline
CID 134855711
4-Azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaene
CID 18187422

Frequently Asked Questions

What is the IUPAC name of 9bH-benzo[de]quinoline?
The IUPAC name of 9bH-benzo[de]quinoline (CID 57001454) is 9bH-benzo[de]quinoline.
What is the SMILES notation for 9bH-benzo[de]quinoline?
The canonical SMILES for 9bH-benzo[de]quinoline is C1=CC2=CC=NC3=CC=CC(=C1)C23.
What is the InChIKey of 9bH-benzo[de]quinoline?
The InChIKey is FBWACLVQZNGKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N/c1-3-9-5-2-6-11-12(9)10(4-1)7-8-13-11/h1-8,12H.
What are the key properties of 9bH-benzo[de]quinoline?
9bH-benzo[de]quinoline has a molecular weight of 167.21 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9bH-benzo[de]quinoline is sourced from PubChem (CID 57001454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).