1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one

C16H25NO — CID 22245834

IUPAC1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one
SMILESCCCN1CCCC2CC3=C(CCCC3=O)CC21
InChIInChI=1S/C16H25NO/c1-2-8-17-9-4-6-13-10-14-12(11-15(13)17)5-3-7-16(14)18/h13,15H,2-11H2,1H3
InChIKeyQLIKRYHBUISCTR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.32
Rot. Bonds2

About 1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one

1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one (PubChem CID 22245834) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one.

Molecular Properties

Compound Name1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one
PubChem CID22245834
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one
SMILESCCCN1CCCC2CC3=C(CCCC3=O)CC21
InChIInChI=1S/C16H25NO/c1-2-8-17-9-4-6-13-10-14-12(11-15(13)17)5-3-7-16(14)18/h13,15H,2-11H2,1H3
InChIKeyQLIKRYHBUISCTR-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one?
The IUPAC name of 1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one (CID 22245834) is 1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one.
What is the SMILES notation for 1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one?
The canonical SMILES for 1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one is CCCN1CCCC2CC3=C(CCCC3=O)CC21.
What is the InChIKey of 1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one?
The InChIKey is QLIKRYHBUISCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-8-17-9-4-6-13-10-14-12(11-15(13)17)5-3-7-16(14)18/h13,15H,2-11H2,1H3.
What are the key properties of 1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one?
1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one has a molecular weight of 247.38 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one is sourced from PubChem (CID 22245834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).