1,2,3,4,7,8,9,10-octahydrobenzo[c]cinnoline

C12H16N2 — CID 165339889

IUPAC1,2,3,4,7,8,9,10-octahydrobenzo[c]cinnoline
SMILESC1CCc2c(nnc3c2CCCC3)C1
InChIInChI=1S/C12H16N2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11/h1-8H2
InChIKeyHTIHRECSSRIKKJ-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.23
Rot. Bonds

About 1,2,3,4,7,8,9,10-octahydrobenzo[c]cinnoline

1,2,3,4,7,8,9,10-octahydrobenzo[c]cinnoline (PubChem CID 165339889) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1,2,3,4,7,8,9,10-octahydrobenzo[c]cinnoline.

Molecular Properties

Compound Name1,2,3,4,7,8,9,10-octahydrobenzo[c]cinnoline
PubChem CID165339889
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1,2,3,4,7,8,9,10-octahydrobenzo[c]cinnoline
SMILESC1CCc2c(nnc3c2CCCC3)C1
InChIInChI=1S/C12H16N2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11/h1-8H2
InChIKeyHTIHRECSSRIKKJ-UHFFFAOYSA-N
XLogP2.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4,7,8,9,10-octahydrobenzo[c]cinnoline 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

1,2,3,4,7,8,9,10-Octahydrobenzo[c]cinnolin-1-one oxime
CID 135449189
3-Chloro-5,6,7,8-tetrahydrocinnoline-4-carbonitrile
CID 85761029
1,2,3,6,7,8-Hexahydrocinnolino[5,4,3-cde]cinnoline
CID 255562
Tetramethylpyridazine
CID 12750033
Cinnoline, 5,6,7,8-tetrahydro-3-methyl-
CID 59271933
1,4-Dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
CID 90182986
3-(4-Fluorophenyl)-5,6,7,8-tetrahydrocinnoline
CID 177850867
N-(3,4,7,8,9,10-hexahydro-2H-benzo[c]cinnolin-1-ylidene)hydroxylamine
CID 608327
Cinnoline, 5,6,7,8-tetrahydro-3,4-dimethyl-
CID 165339766
3-Phenyl-5,6,7,8-tetrahydrocinnoline
CID 15275303
3-Tert-butyl-5,6,7,8-tetrahydrocinnoline
CID 121391274
3-Ethyl-5,6,7,8-tetrahydrocinnoline
CID 166104233

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,7,8,9,10-octahydrobenzo[c]cinnoline?
The IUPAC name of 1,2,3,4,7,8,9,10-octahydrobenzo[c]cinnoline (CID 165339889) is 1,2,3,4,7,8,9,10-octahydrobenzo[c]cinnoline.
What is the SMILES notation for 1,2,3,4,7,8,9,10-octahydrobenzo[c]cinnoline?
The canonical SMILES for 1,2,3,4,7,8,9,10-octahydrobenzo[c]cinnoline is C1CCc2c(nnc3c2CCCC3)C1.
What is the InChIKey of 1,2,3,4,7,8,9,10-octahydrobenzo[c]cinnoline?
The InChIKey is HTIHRECSSRIKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11/h1-8H2.
What are the key properties of 1,2,3,4,7,8,9,10-octahydrobenzo[c]cinnoline?
1,2,3,4,7,8,9,10-octahydrobenzo[c]cinnoline has a molecular weight of 188.27 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,7,8,9,10-octahydrobenzo[c]cinnoline is sourced from PubChem (CID 165339889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).