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

C15H19NO2 — CID 142637622

IUPAC1-deuterio-8-methoxy-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
SMILES[2H]C1CC(=O)N(C)C2CCc3cc(OC)ccc3C12
InChIInChI=1S/C15H19NO2/c1-16-14-7-3-10-9-11(18-2)4-5-12(10)13(14)6-8-15(16)17/h4-5,9,13-14H,3,6-8H2,1-2H3/i6D
InChIKeyIEHRLIRLTIHPQO-RAMDWTOOSA-N
MW246.33 g/mol
LogP2.35
Rot. Bonds1

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

1-deuterio-8-methoxy-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one (PubChem CID 142637622) has the molecular formula C15H19NO2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-deuterio-8-methoxy-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one.

Molecular Properties

Compound Name1-deuterio-8-methoxy-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
PubChem CID142637622
Molecular FormulaC15H19NO2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name1-deuterio-8-methoxy-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
SMILES[2H]C1CC(=O)N(C)C2CCc3cc(OC)ccc3C12
InChIInChI=1S/C15H19NO2/c1-16-14-7-3-10-9-11(18-2)4-5-12(10)13(14)6-8-15(16)17/h4-5,9,13-14H,3,6-8H2,1-2H3/i6D
InChIKeyIEHRLIRLTIHPQO-RAMDWTOOSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

1-deuterio-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
CID 142637647
(3aS,9bS)-7-methoxy-2-methyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
CID 141001034
6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one
CID 66350309
2-(azepan-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43184261
(8R,9S,13S,14R)-3-methoxy-14-methyl-7,8,9,11,12,13-hexahydro-6H-cyclopenta[a]phenanthren-17-one
CID 44631144
(13S)-3-methoxy-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one
CID 54575269
(8R,9S,13S)-3-methoxy-13-methyl-7,8,9,11,12,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
CID 10869758
(3aS,3bR)-7-methoxy-3,3a,3b,4,5,11-hexahydro-2H-naphtho[1,2-g]indolizin-1-one
CID 849515
5-methoxy-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-16-one
CID 23262749
(1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile
CID 86319053
2-bromo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 13275748
methyl 6,13-dimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2-carboxylate
CID 83985276

Frequently Asked Questions

What is the IUPAC name of 1-deuterio-8-methoxy-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one?
The IUPAC name of 1-deuterio-8-methoxy-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one (CID 142637622) is 1-deuterio-8-methoxy-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one.
What is the SMILES notation for 1-deuterio-8-methoxy-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one?
The canonical SMILES for 1-deuterio-8-methoxy-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one is [2H]C1CC(=O)N(C)C2CCc3cc(OC)ccc3C12.
What is the InChIKey of 1-deuterio-8-methoxy-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one?
The InChIKey is IEHRLIRLTIHPQO-RAMDWTOOSA-N. The full InChI is InChI=1S/C15H19NO2/c1-16-14-7-3-10-9-11(18-2)4-5-12(10)13(14)6-8-15(16)17/h4-5,9,13-14H,3,6-8H2,1-2H3/i6D.
What are the key properties of 1-deuterio-8-methoxy-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one?
1-deuterio-8-methoxy-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one has a molecular weight of 246.33 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-8-methoxy-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one is sourced from PubChem (CID 142637622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).