(4aS,10aR)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one;hydrochloride

C16H26ClNO — CID 11550950

IUPAC(4aS,10aR)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one;hydrochloride
SMILESCCCN1CCC[C@H]2CC3=C(CCCC3=O)C[C@H]21.Cl
InChIInChI=1S/C16H25NO.ClH/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;1H/t13-,15+;/m0./s1
InChIKeyOURCCHMSSDHOHO-NQQJLSKUSA-N
MW283.84 g/mol
LogP3.74
Rot. Bonds2

About (4aS,10aR)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one;hydrochloride

(4aS,10aR)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one;hydrochloride (PubChem CID 11550950) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is (4aS,10aR)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one;hydrochloride.

Molecular Properties

Compound Name(4aS,10aR)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one;hydrochloride
PubChem CID11550950
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name(4aS,10aR)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one;hydrochloride
SMILESCCCN1CCC[C@H]2CC3=C(CCCC3=O)C[C@H]21.Cl
InChIInChI=1S/C16H25NO.ClH/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;1H/t13-,15+;/m0./s1
InChIKeyOURCCHMSSDHOHO-NQQJLSKUSA-N
XLogP3.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aS,10aR)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one;hydrochloride?
The IUPAC name of (4aS,10aR)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one;hydrochloride (CID 11550950) is (4aS,10aR)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one;hydrochloride.
What is the SMILES notation for (4aS,10aR)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one;hydrochloride?
The canonical SMILES for (4aS,10aR)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one;hydrochloride is CCCN1CCC[C@H]2CC3=C(CCCC3=O)C[C@H]21.Cl.
What is the InChIKey of (4aS,10aR)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one;hydrochloride?
The InChIKey is OURCCHMSSDHOHO-NQQJLSKUSA-N. The full InChI is InChI=1S/C16H25NO.ClH/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;1H/t13-,15+;/m0./s1.
What are the key properties of (4aS,10aR)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one;hydrochloride?
(4aS,10aR)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one;hydrochloride has a molecular weight of 283.84 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,10aR)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one;hydrochloride is sourced from PubChem (CID 11550950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).