1,2,3,4,4a,8,9,10,10a,10b-decahydrobenzo[f]quinoline

C13H19N — CID 19045822

IUPAC1,2,3,4,4a,8,9,10,10a,10b-decahydrobenzo[f]quinoline
SMILESC1=CC2NCCCC2C2CCCC=C12
InChIInChI=1S/C13H19N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h4,7-8,11-14H,1-3,5-6,9H2
InChIKeyXDLZTMYMSJEYHV-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.65
Rot. Bonds

About 1,2,3,4,4a,8,9,10,10a,10b-decahydrobenzo[f]quinoline

1,2,3,4,4a,8,9,10,10a,10b-decahydrobenzo[f]quinoline (PubChem CID 19045822) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1,2,3,4,4a,8,9,10,10a,10b-decahydrobenzo[f]quinoline.

Molecular Properties

Compound Name1,2,3,4,4a,8,9,10,10a,10b-decahydrobenzo[f]quinoline
PubChem CID19045822
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1,2,3,4,4a,8,9,10,10a,10b-decahydrobenzo[f]quinoline
SMILESC1=CC2NCCCC2C2CCCC=C12
InChIInChI=1S/C13H19N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h4,7-8,11-14H,1-3,5-6,9H2
InChIKeyXDLZTMYMSJEYHV-UHFFFAOYSA-N
XLogP2.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,8,9,10,10a,10b-decahydrobenzo[f]quinoline?
The IUPAC name of 1,2,3,4,4a,8,9,10,10a,10b-decahydrobenzo[f]quinoline (CID 19045822) is 1,2,3,4,4a,8,9,10,10a,10b-decahydrobenzo[f]quinoline.
What is the SMILES notation for 1,2,3,4,4a,8,9,10,10a,10b-decahydrobenzo[f]quinoline?
The canonical SMILES for 1,2,3,4,4a,8,9,10,10a,10b-decahydrobenzo[f]quinoline is C1=CC2NCCCC2C2CCCC=C12.
What is the InChIKey of 1,2,3,4,4a,8,9,10,10a,10b-decahydrobenzo[f]quinoline?
The InChIKey is XDLZTMYMSJEYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h4,7-8,11-14H,1-3,5-6,9H2.
What are the key properties of 1,2,3,4,4a,8,9,10,10a,10b-decahydrobenzo[f]quinoline?
1,2,3,4,4a,8,9,10,10a,10b-decahydrobenzo[f]quinoline has a molecular weight of 189.30 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,8,9,10,10a,10b-decahydrobenzo[f]quinoline is sourced from PubChem (CID 19045822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).