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

C16H25NO — CID 20613675

IUPAC(4aS,10aS)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one
SMILESCCCN1CCC[C@H]2CC3=C(CCCC3=O)C[C@@H]21
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/t13-,15-/m0/s1
InChIKeyQLIKRYHBUISCTR-ZFWWWQNUSA-N
MW247.38 g/mol
LogP3.32
Rot. Bonds2

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

(4aS,10aS)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one (PubChem CID 20613675) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (4aS,10aS)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one.

Molecular Properties

Compound Name(4aS,10aS)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one
PubChem CID20613675
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(4aS,10aS)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one
SMILESCCCN1CCC[C@H]2CC3=C(CCCC3=O)C[C@@H]21
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/t13-,15-/m0/s1
InChIKeyQLIKRYHBUISCTR-ZFWWWQNUSA-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

Analyze (4aS,10aS)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one with MolForge

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Related Compounds

6-(dipropylamino)-3,4,5,6,7,8-hexahydronaphthalen-1(2H)-one
CID 11288137
6-[ethyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
CID 10444092
6-[methyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
CID 10900184
1-Propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one
CID 22245834
(6S)-6-(Dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
CID 9794921
6-(Dipropylamino)-3,3-dimethyl-2,4,5,6,7,8-hexahydronaphthalen-1-one
CID 11054983
(6R)-6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
CID 11776851
6-[3-fluoropropyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
CID 11780509
(4aR,10aR)-2,3,4,4a,5,7,8,9,10,10a-Decahydro-1-propylbenzo[g]quinolin-6(1H)-one
CID 9813631
5,9,9-trimethyl-3,4,4a,5,9,10-hexahydro-1H-pyrido[1,2-a]quinoline-6,7(2H,8H)-dione
CID 3522891
(4aR,10aR)-1-propyl-2,3,4,4a,5,9,10,10a-octahydrobenzo[g]quinolin-6-one
CID 177691951
5-ethyl-9,9-dimethyl-3,4,4a,5,9,10-hexahydro-1H-pyrido[1,2-a]quinoline-6,7(2H,8H)-dione
CID 3565751

Frequently Asked Questions

What is the IUPAC name of (4aS,10aS)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one?
The IUPAC name of (4aS,10aS)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one (CID 20613675) is (4aS,10aS)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one.
What is the SMILES notation for (4aS,10aS)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one?
The canonical SMILES for (4aS,10aS)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one is CCCN1CCC[C@H]2CC3=C(CCCC3=O)C[C@@H]21.
What is the InChIKey of (4aS,10aS)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one?
The InChIKey is QLIKRYHBUISCTR-ZFWWWQNUSA-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/t13-,15-/m0/s1.
What are the key properties of (4aS,10aS)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one?
(4aS,10aS)-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 (4aS,10aS)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one is sourced from PubChem (CID 20613675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).