(13aS)-1,2,3,4,6,7,13,13a-octahydronaphtho[1,2-c]quinolizin-12-one

C17H19NO — CID 95561967

IUPAC(13aS)-1,2,3,4,6,7,13,13a-octahydronaphtho[1,2-c]quinolizin-12-one
SMILESO=C1C[C@@H]2CCCCN2C2=C1c1ccccc1CC2
InChIInChI=1S/C17H19NO/c19-16-11-13-6-3-4-10-18(13)15-9-8-12-5-1-2-7-14(12)17(15)16/h1-2,5,7,13H,3-4,6,8-11H2/t13-/m0/s1
InChIKeyDOXOKUMFXXQNQY-ZDUSSCGKSA-N
MW253.34 g/mol
LogP3.17
Rot. Bonds

About (13aS)-1,2,3,4,6,7,13,13a-octahydronaphtho[1,2-c]quinolizin-12-one

(13aS)-1,2,3,4,6,7,13,13a-octahydronaphtho[1,2-c]quinolizin-12-one (PubChem CID 95561967) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is (13aS)-1,2,3,4,6,7,13,13a-octahydronaphtho[1,2-c]quinolizin-12-one.

Molecular Properties

Compound Name(13aS)-1,2,3,4,6,7,13,13a-octahydronaphtho[1,2-c]quinolizin-12-one
PubChem CID95561967
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name(13aS)-1,2,3,4,6,7,13,13a-octahydronaphtho[1,2-c]quinolizin-12-one
SMILESO=C1C[C@@H]2CCCCN2C2=C1c1ccccc1CC2
InChIInChI=1S/C17H19NO/c19-16-11-13-6-3-4-10-18(13)15-9-8-12-5-1-2-7-14(12)17(15)16/h1-2,5,7,13H,3-4,6,8-11H2/t13-/m0/s1
InChIKeyDOXOKUMFXXQNQY-ZDUSSCGKSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (13aS)-1,2,3,4,6,7,13,13a-octahydronaphtho[1,2-c]quinolizin-12-one with MolForge

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Related Compounds

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(4aS)-9,9-dimethyl-1,2,3,4,4a,5,8,10-octahydrobenzo[c]quinolizine-6,7-dione
CID 712032
6-methyl-5-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one
CID 86234429
(17R)-23-fluoro-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-11-one
CID 169173845
2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
CID 13380222
(9aR)-4-methyl-3-(4-methylphenyl)sulfonyl-1,6,7,8,9,9a-hexahydroquinolizin-2-one
CID 11472650
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole
CID 11744913
4-deuterio-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one
CID 135044505
1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[c]quinolizin-7-one
CID 24971554
1-(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)-2,3-dihydroquinolin-4-one
CID 110612523
2-phenylsulfanyl-1,6,7,8,9,9a-hexahydroquinolizin-4-one
CID 11536231

Frequently Asked Questions

What is the IUPAC name of (13aS)-1,2,3,4,6,7,13,13a-octahydronaphtho[1,2-c]quinolizin-12-one?
The IUPAC name of (13aS)-1,2,3,4,6,7,13,13a-octahydronaphtho[1,2-c]quinolizin-12-one (CID 95561967) is (13aS)-1,2,3,4,6,7,13,13a-octahydronaphtho[1,2-c]quinolizin-12-one.
What is the SMILES notation for (13aS)-1,2,3,4,6,7,13,13a-octahydronaphtho[1,2-c]quinolizin-12-one?
The canonical SMILES for (13aS)-1,2,3,4,6,7,13,13a-octahydronaphtho[1,2-c]quinolizin-12-one is O=C1C[C@@H]2CCCCN2C2=C1c1ccccc1CC2.
What is the InChIKey of (13aS)-1,2,3,4,6,7,13,13a-octahydronaphtho[1,2-c]quinolizin-12-one?
The InChIKey is DOXOKUMFXXQNQY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19NO/c19-16-11-13-6-3-4-10-18(13)15-9-8-12-5-1-2-7-14(12)17(15)16/h1-2,5,7,13H,3-4,6,8-11H2/t13-/m0/s1.
What are the key properties of (13aS)-1,2,3,4,6,7,13,13a-octahydronaphtho[1,2-c]quinolizin-12-one?
(13aS)-1,2,3,4,6,7,13,13a-octahydronaphtho[1,2-c]quinolizin-12-one has a molecular weight of 253.34 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (13aS)-1,2,3,4,6,7,13,13a-octahydronaphtho[1,2-c]quinolizin-12-one is sourced from PubChem (CID 95561967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).