4-methyl-1,2,4,4a,5,6,6a,10a-octahydrobenzo[f]quinolizin-3-one

C14H19NO — CID 54438579

IUPAC4-methyl-1,2,4,4a,5,6,6a,10a-octahydrobenzo[f]quinolizin-3-one
SMILESCC1C(=O)CCN2C3C=CC=CC3CCC12
InChIInChI=1S/C14H19NO/c1-10-12-7-6-11-4-2-3-5-13(11)15(12)9-8-14(10)16/h2-5,10-13H,6-9H2,1H3
InChIKeyWMLYGNCFYILKNZ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.17
Rot. Bonds

About 4-methyl-1,2,4,4a,5,6,6a,10a-octahydrobenzo[f]quinolizin-3-one

4-methyl-1,2,4,4a,5,6,6a,10a-octahydrobenzo[f]quinolizin-3-one (PubChem CID 54438579) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-methyl-1,2,4,4a,5,6,6a,10a-octahydrobenzo[f]quinolizin-3-one.

Molecular Properties

Compound Name4-methyl-1,2,4,4a,5,6,6a,10a-octahydrobenzo[f]quinolizin-3-one
PubChem CID54438579
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-methyl-1,2,4,4a,5,6,6a,10a-octahydrobenzo[f]quinolizin-3-one
SMILESCC1C(=O)CCN2C3C=CC=CC3CCC12
InChIInChI=1S/C14H19NO/c1-10-12-7-6-11-4-2-3-5-13(11)15(12)9-8-14(10)16/h2-5,10-13H,6-9H2,1H3
InChIKeyWMLYGNCFYILKNZ-UHFFFAOYSA-N
XLogP2.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1,2,4,4a,5,6,6a,10a-octahydrobenzo[f]quinolizin-3-one with MolForge

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Related Compounds

(1S,16Z,24R,25S,32R)-12,28-diazapentacyclo[22.7.1.18,12.010,25.028,32]tritriaconta-8,16-dien-31-one
CID 101933313
1,2,4,4a,5,6,6a,10a-Octahydrobenzo[f]quinolizin-3-one
CID 54543774
1,2,4,4a,5,6,6a,9,10,10a-Decahydrobenzo[f]quinolizin-3-one
CID 69784409
(1R,16Z,24S,25S,32R)-12,28-diazapentacyclo[22.7.1.18,12.010,25.028,32]tritriaconta-8,16-dien-31-one
CID 21601903
(1S,2S,4R,9R)-15-methyl-11,15-diazatetracyclo[11.3.1.02,11.04,9]heptadeca-5,7-dien-17-one
CID 134856070
(5S,9S,13R)-1-azatricyclo[7.3.1.05,13]tridec-7-en-6-one
CID 21581093
10-Ethyl-4a,8a,9a,10a-tetrahydroacridin-9-one
CID 66598494
1,2,4,4a,5,6,6a,7,8,9-Decahydrobenzo[f]quinolizin-3-one
CID 69784410
1,2,4,4a,5,6,6a,7-Octahydrobenzo[f]quinolizin-3-one
CID 69785674
4-Prop-2-enyl-2,3,4a,5,6,6a-hexahydrobenzo[f]quinolin-1-one
CID 70192417
(4aS)-8-chloro-4-methyl-2,3,4a,5,6,6a-hexahydrobenzo[f]quinolin-1-one
CID 70192718
9,10-Dimethyl-3-(2-methylpropyl)-1,3,4,6,7,11,11a,11b-octahydrobenzo[a]quinolizin-2-one
CID 70446719

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,4,4a,5,6,6a,10a-octahydrobenzo[f]quinolizin-3-one?
The IUPAC name of 4-methyl-1,2,4,4a,5,6,6a,10a-octahydrobenzo[f]quinolizin-3-one (CID 54438579) is 4-methyl-1,2,4,4a,5,6,6a,10a-octahydrobenzo[f]quinolizin-3-one.
What is the SMILES notation for 4-methyl-1,2,4,4a,5,6,6a,10a-octahydrobenzo[f]quinolizin-3-one?
The canonical SMILES for 4-methyl-1,2,4,4a,5,6,6a,10a-octahydrobenzo[f]quinolizin-3-one is CC1C(=O)CCN2C3C=CC=CC3CCC12.
What is the InChIKey of 4-methyl-1,2,4,4a,5,6,6a,10a-octahydrobenzo[f]quinolizin-3-one?
The InChIKey is WMLYGNCFYILKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-12-7-6-11-4-2-3-5-13(11)15(12)9-8-14(10)16/h2-5,10-13H,6-9H2,1H3.
What are the key properties of 4-methyl-1,2,4,4a,5,6,6a,10a-octahydrobenzo[f]quinolizin-3-one?
4-methyl-1,2,4,4a,5,6,6a,10a-octahydrobenzo[f]quinolizin-3-one has a molecular weight of 217.31 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,4,4a,5,6,6a,10a-octahydrobenzo[f]quinolizin-3-one is sourced from PubChem (CID 54438579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).