1,4,5,6,7,8-hexahydroquinoline

C9H13N — CID 18365471

IUPAC1,4,5,6,7,8-hexahydroquinoline
SMILESC1=CNC2=C(C1)CCCC2
InChIInChI=1S/C9H13N/c1-2-6-9-8(4-1)5-3-7-10-9/h3,7,10H,1-2,4-6H2
InChIKeyYEPJGGPOYCFDMG-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.32
Rot. Bonds

About 1,4,5,6,7,8-hexahydroquinoline

1,4,5,6,7,8-hexahydroquinoline (PubChem CID 18365471) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 1,4,5,6,7,8-hexahydroquinoline.

Molecular Properties

Compound Name1,4,5,6,7,8-hexahydroquinoline
PubChem CID18365471
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name1,4,5,6,7,8-hexahydroquinoline
SMILESC1=CNC2=C(C1)CCCC2
InChIInChI=1S/C9H13N/c1-2-6-9-8(4-1)5-3-7-10-9/h3,7,10H,1-2,4-6H2
InChIKeyYEPJGGPOYCFDMG-UHFFFAOYSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,4,5,6,7,8-hexahydroquinoline 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

Benzocycloheptapyridine
CID 87079834
4-(Trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline
CID 134963507
8-Hexahydroquinoline
CID 20226183
10,13,14-Octahydrophenanthridine
CID 21863971
1,2,5,6,7,8-Hexahydroquinoline
CID 53784000
6,7,8,9-Tetrahydro-1-benzazepine
CID 67639352
7,8-Hexahydro-2-quinolone
CID 129792648
1,4,4a,5,6,7-Hexahydroquinoline
CID 129880067
Hexahydroazafluorene
CID 129724147
5,6-Pentamethylene-1,4-dihydropyridine
CID 129786573
4,5,6,7-Tetrahydro-1h-cyclopenta[b]pyridine
CID 129880101
1,5,6,7,8,8a-Hexahydroquinoline
CID 17802719

Frequently Asked Questions

What is the IUPAC name of 1,4,5,6,7,8-hexahydroquinoline?
The IUPAC name of 1,4,5,6,7,8-hexahydroquinoline (CID 18365471) is 1,4,5,6,7,8-hexahydroquinoline.
What is the SMILES notation for 1,4,5,6,7,8-hexahydroquinoline?
The canonical SMILES for 1,4,5,6,7,8-hexahydroquinoline is C1=CNC2=C(C1)CCCC2.
What is the InChIKey of 1,4,5,6,7,8-hexahydroquinoline?
The InChIKey is YEPJGGPOYCFDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-2-6-9-8(4-1)5-3-7-10-9/h3,7,10H,1-2,4-6H2.
What are the key properties of 1,4,5,6,7,8-hexahydroquinoline?
1,4,5,6,7,8-hexahydroquinoline has a molecular weight of 135.21 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6,7,8-hexahydroquinoline is sourced from PubChem (CID 18365471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).