1-deuterio-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one

C15H19NO — CID 142637647

IUPAC1-deuterio-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
SMILES[2H]C1CC(=O)N(C)C2CCc3cc(C)ccc3C12
InChIInChI=1S/C15H19NO/c1-10-3-5-12-11(9-10)4-7-14-13(12)6-8-15(17)16(14)2/h3,5,9,13-14H,4,6-8H2,1-2H3/i6D
InChIKeyXDOWUVXUVBBNIH-RAMDWTOOSA-N
MW230.33 g/mol
LogP2.65
Rot. Bonds

About 1-deuterio-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one

1-deuterio-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one (PubChem CID 142637647) has the molecular formula C15H19NO and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-deuterio-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one.

Molecular Properties

Compound Name1-deuterio-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
PubChem CID142637647
Molecular FormulaC15H19NO
Molecular Weight230.33 g/mol
Exact Mass230.15
IUPAC Name1-deuterio-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
SMILES[2H]C1CC(=O)N(C)C2CCc3cc(C)ccc3C12
InChIInChI=1S/C15H19NO/c1-10-3-5-12-11(9-10)4-7-14-13(12)6-8-15(17)16(14)2/h3,5,9,13-14H,4,6-8H2,1-2H3/i6D
InChIKeyXDOWUVXUVBBNIH-RAMDWTOOSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-deuterio-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one with MolForge

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Launch Full Analysis

Related Compounds

1-deuterio-8-methoxy-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
CID 142637622
(4aS,10bS)-8-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one
CID 54374837
3,9-dimethyl-6,6a,11,11a-tetrahydro-5H-benzo[a]fluorene;tetrakis(1,4-xylene)
CID 143462508
1,2,6-trimethyl-3,4-dihydro-2H-quinoline
CID 142003653
7-methyl-1,4,5,9b-tetrahydroazirino[2,1-a][2]benzazepin-3-one
CID 149469619
2,7-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 21032882
2-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetaldehyde
CID 105435841
(8R,9S,13S,14S)-3-(dideuteriomethyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 166444892
(1S,2S)-1,6-dimethyl-2-phenyl-1,2,3,4-tetrahydronaphthalene
CID 170728886
ethane;5-methyl-2,3-dihydro-1H-inden-1-amine;1,3-xylene
CID 162687970
5-methyl-2,3-dihydro-1H-inden-1-amine;5-methyl-2,3-dihydroinden-1-one;hydrochloride
CID 67762900
(4aS,9aR)-6,10-dimethyl-1,2,3,4,4a,9a-hexahydroacridin-9-one
CID 102030447

Frequently Asked Questions

What is the IUPAC name of 1-deuterio-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one?
The IUPAC name of 1-deuterio-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one (CID 142637647) is 1-deuterio-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one.
What is the SMILES notation for 1-deuterio-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one?
The canonical SMILES for 1-deuterio-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one is [2H]C1CC(=O)N(C)C2CCc3cc(C)ccc3C12.
What is the InChIKey of 1-deuterio-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one?
The InChIKey is XDOWUVXUVBBNIH-RAMDWTOOSA-N. The full InChI is InChI=1S/C15H19NO/c1-10-3-5-12-11(9-10)4-7-14-13(12)6-8-15(17)16(14)2/h3,5,9,13-14H,4,6-8H2,1-2H3/i6D.
What are the key properties of 1-deuterio-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one?
1-deuterio-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one has a molecular weight of 230.33 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one is sourced from PubChem (CID 142637647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).