1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(2-methoxycarbazol-9-yl)ethanone

C24H28N2O2 — CID 69351214

IUPAC1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(2-methoxycarbazol-9-yl)ethanone
SMILESCOc1ccc2c3ccccc3n(CC(=O)N3CC[C@@H]4CCCC[C@@H]4C3)c2c1
InChIInChI=1S/C24H28N2O2/c1-28-19-10-11-21-20-8-4-5-9-22(20)26(23(21)14-19)16-24(27)25-13-12-17-6-2-3-7-18(17)15-25/h4-5,8-11,14,17-18H,2-3,6-7,12-13,15-16H2,1H3/t17-,18+/m0/s1
InChIKeyRESZMQBYADRCPO-ZWKOTPCHSA-N
MW376.50 g/mol
LogP4.84
Rot. Bonds3

About 1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(2-methoxycarbazol-9-yl)ethanone

1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(2-methoxycarbazol-9-yl)ethanone (PubChem CID 69351214) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(2-methoxycarbazol-9-yl)ethanone.

Molecular Properties

Compound Name1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(2-methoxycarbazol-9-yl)ethanone
PubChem CID69351214
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(2-methoxycarbazol-9-yl)ethanone
SMILESCOc1ccc2c3ccccc3n(CC(=O)N3CC[C@@H]4CCCC[C@@H]4C3)c2c1
InChIInChI=1S/C24H28N2O2/c1-28-19-10-11-21-20-8-4-5-9-22(20)26(23(21)14-19)16-24(27)25-13-12-17-6-2-3-7-18(17)15-25/h4-5,8-11,14,17-18H,2-3,6-7,12-13,15-16H2,1H3/t17-,18+/m0/s1
InChIKeyRESZMQBYADRCPO-ZWKOTPCHSA-N
XLogP4.84
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(2-methoxycarbazol-9-yl)ethanone with MolForge

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Related Compounds

1-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-ethylquinazoline-2,4-dione
CID 9490062
1-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]quinolin-4-one
CID 95588154
2-carbazol-9-yl-1-pyrrolidin-1-ylethanone
CID 67925935
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-bromo-5-methoxyphenyl)methanone
CID 60630518
1-[3-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-5-methoxy-1-benzothiophen-2-yl]-2,2-dimethylpropan-1-one
CID 11362365
[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 9200432
2-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]isoindole-1,3-dione
CID 9017520
N-(3,3-dimethylbutyl)-N-ethyl-2-(2-methoxycarbazol-9-yl)acetamide
CID 11696301
10-[2-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]acridin-9-one
CID 55918166
1-(3-cyclohexylpyrrolidin-1-yl)-2-(N-methylanilino)ethanone
CID 154783657
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propan-1-one
CID 9225743
10-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]acridin-9-one
CID 119489974

Frequently Asked Questions

What is the IUPAC name of 1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(2-methoxycarbazol-9-yl)ethanone?
The IUPAC name of 1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(2-methoxycarbazol-9-yl)ethanone (CID 69351214) is 1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(2-methoxycarbazol-9-yl)ethanone.
What is the SMILES notation for 1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(2-methoxycarbazol-9-yl)ethanone?
The canonical SMILES for 1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(2-methoxycarbazol-9-yl)ethanone is COc1ccc2c3ccccc3n(CC(=O)N3CC[C@@H]4CCCC[C@@H]4C3)c2c1.
What is the InChIKey of 1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(2-methoxycarbazol-9-yl)ethanone?
The InChIKey is RESZMQBYADRCPO-ZWKOTPCHSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-28-19-10-11-21-20-8-4-5-9-22(20)26(23(21)14-19)16-24(27)25-13-12-17-6-2-3-7-18(17)15-25/h4-5,8-11,14,17-18H,2-3,6-7,12-13,15-16H2,1H3/t17-,18+/m0/s1.
What are the key properties of 1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(2-methoxycarbazol-9-yl)ethanone?
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(2-methoxycarbazol-9-yl)ethanone has a molecular weight of 376.50 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(2-methoxycarbazol-9-yl)ethanone is sourced from PubChem (CID 69351214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).