6,7-dimethoxy-1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one

C21H23NO3 — CID 22767399

IUPAC6,7-dimethoxy-1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one
SMILESCOc1ccc2c(c1OC)C(c1ccccc1)C1CCC(=O)N(C)C21
InChIInChI=1S/C21H23NO3/c1-22-17(23)12-10-14-18(13-7-5-4-6-8-13)19-15(20(14)22)9-11-16(24-2)21(19)25-3/h4-9,11,14,18,20H,10,12H2,1-3H3
InChIKeyIHDDEHYBWMYFEU-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.76
Rot. Bonds3

About 6,7-dimethoxy-1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one

6,7-dimethoxy-1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one (PubChem CID 22767399) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 6,7-dimethoxy-1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one
PubChem CID22767399
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name6,7-dimethoxy-1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one
SMILESCOc1ccc2c(c1OC)C(c1ccccc1)C1CCC(=O)N(C)C21
InChIInChI=1S/C21H23NO3/c1-22-17(23)12-10-14-18(13-7-5-4-6-8-13)19-15(20(14)22)9-11-16(24-2)21(19)25-3/h4-9,11,14,18,20H,10,12H2,1-3H3
InChIKeyIHDDEHYBWMYFEU-UHFFFAOYSA-N
XLogP3.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,7-dimethoxy-1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-Pronuciferine
CID 628376
Pronuciferine
CID 200480
Promucosine
CID 23244604
1-[1-(2,2-Diphenyl-ethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-propan-1-one
CID 11304958
1-[1-(2,2-Diphenyl-ethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-butan-1-one
CID 11476283
6-(2-Methoxy-6-methylphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69082473
(8'aR)-1'-Acetyl-2',3',8',8'a-tetrahydro-5',6'-dimethoxyspiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one
CID 288411
(1S,12R)-15,16-dimethoxy-20-prop-2-enyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene-11,19-dione
CID 10691956
ethyl (6aR,11aS)-6-benzyl-8,9-dimethoxy-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate
CID 25223139
2-Benzyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-butan-1-one
CID 44359415
1-Propanone, 1-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-2,3-diphenyl-
CID 44359650
1-[1-(2,2-Diphenyl-ethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-hexan-1-one
CID 44395939

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one?
The IUPAC name of 6,7-dimethoxy-1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one (CID 22767399) is 6,7-dimethoxy-1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one.
What is the SMILES notation for 6,7-dimethoxy-1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one?
The canonical SMILES for 6,7-dimethoxy-1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one is COc1ccc2c(c1OC)C(c1ccccc1)C1CCC(=O)N(C)C21.
What is the InChIKey of 6,7-dimethoxy-1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one?
The InChIKey is IHDDEHYBWMYFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-22-17(23)12-10-14-18(13-7-5-4-6-8-13)19-15(20(14)22)9-11-16(24-2)21(19)25-3/h4-9,11,14,18,20H,10,12H2,1-3H3.
What are the key properties of 6,7-dimethoxy-1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one?
6,7-dimethoxy-1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one has a molecular weight of 337.42 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-methyl-5-phenyl-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b]pyridin-2-one is sourced from PubChem (CID 22767399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).