Octahydrodibenzoquinoline

C17H19N — CID 129724134

IUPAC1,2,3,4,4a,4b,5,6-octahydrophenanthro[9,10-b]pyridine
SMILESC1CC2C3CCC=CC3=C4C=CC=CC4=C2NC1
InChIInChI=1S/C17H19N/c1-2-7-14-12(6-1)13-8-3-4-9-15(13)17-16(14)10-5-11-18-17/h1,3-4,6,8-9,14,16,18H,2,5,7,10-11H2
InChIKeyRSHMMZVBPPYLKD-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.20
Rot. Bonds

About Octahydrodibenzoquinoline

Octahydrodibenzoquinoline (PubChem CID 129724134) has the molecular formula C17H19N and a molecular weight of 237.34 g/mol. Its IUPAC name is 1,2,3,4,4a,4b,5,6-octahydrophenanthro[9,10-b]pyridine.

Molecular Properties

Compound NameOctahydrodibenzoquinoline
PubChem CID129724134
Molecular FormulaC17H19N
Molecular Weight237.34 g/mol
Exact Mass237.15
IUPAC Name1,2,3,4,4a,4b,5,6-octahydrophenanthro[9,10-b]pyridine
SMILESC1CC2C3CCC=CC3=C4C=CC=CC4=C2NC1
InChIInChI=1S/C17H19N/c1-2-7-14-12(6-1)13-8-3-4-9-15(13)17-16(14)10-5-11-18-17/h1,3-4,6,8-9,14,16,18H,2,5,7,10-11H2
InChIKeyRSHMMZVBPPYLKD-UHFFFAOYSA-N
XLogP3.20
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity528

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Octahydrobenzo(f)quinoline
CID 67192496
Hexahydroquinoline
CID 23352063
1,2,3,4,10a,10b-Hexahydrobenzo[f]isoquinoline
CID 53797068
Octahydrobenz[h]isoquinoline
CID 56633701
Hexahydroindeno-pyridine
CID 67018612
Octahydrobenzoquinoline
CID 67195051
Octahydrobenzo[g]quinoline
CID 69368048
Octahydro-benz[g]isochinoline
CID 129648171
trans-Octahydrobenzo(f)quinoline
CID 129670051
trans-Octahydrobenzo[g]quinoline
CID 129712244
Methyloctahydrodibenzoquinoline
CID 129724108
Dodecahydrodibenzoquinoline
CID 129724120

Frequently Asked Questions

What is the IUPAC name of Octahydrodibenzoquinoline?
The IUPAC name of Octahydrodibenzoquinoline (CID 129724134) is 1,2,3,4,4a,4b,5,6-octahydrophenanthro[9,10-b]pyridine.
What is the SMILES notation for Octahydrodibenzoquinoline?
The canonical SMILES for Octahydrodibenzoquinoline is C1CC2C3CCC=CC3=C4C=CC=CC4=C2NC1.
What is the InChIKey of Octahydrodibenzoquinoline?
The InChIKey is RSHMMZVBPPYLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-2-7-14-12(6-1)13-8-3-4-9-15(13)17-16(14)10-5-11-18-17/h1,3-4,6,8-9,14,16,18H,2,5,7,10-11H2.
What are the key properties of Octahydrodibenzoquinoline?
Octahydrodibenzoquinoline has a molecular weight of 237.34 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Octahydrodibenzoquinoline is sourced from PubChem (CID 129724134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).