[6-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone

C24H34N2O2 — CID 46965260

IUPAC[6-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCCc2cc(C(O)CN3CCC4CCCCC4C3)ccc21
InChIInChI=1S/C24H34N2O2/c27-23(16-25-13-11-17-4-1-2-5-21(17)15-25)20-9-10-22-19(14-20)6-3-12-26(22)24(28)18-7-8-18/h9-10,14,17-18,21,23,27H,1-8,11-13,15-16H2
InChIKeyFCLGTCLZAQCHJG-UHFFFAOYSA-N
MW382.55 g/mol
LogP3.92
Rot. Bonds4

About [6-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone

[6-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone (PubChem CID 46965260) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is [6-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[6-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
PubChem CID46965260
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name[6-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCCc2cc(C(O)CN3CCC4CCCCC4C3)ccc21
InChIInChI=1S/C24H34N2O2/c27-23(16-25-13-11-17-4-1-2-5-21(17)15-25)20-9-10-22-19(14-20)6-3-12-26(22)24(28)18-7-8-18/h9-10,14,17-18,21,23,27H,1-8,11-13,15-16H2
InChIKeyFCLGTCLZAQCHJG-UHFFFAOYSA-N
XLogP3.92
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [6-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone with MolForge

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Related Compounds

[6-[(1S)-2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 124786858
1-[6-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 46965248
cyclopropyl-[6-[(1S)-1-hydroxy-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 51501112
cyclopropyl-[6-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 51588951
1-[6-[1-hydroxy-2-(3-methylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 16672044
1-[6-[(1R)-2-(4-tert-butylpiperidin-1-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 51501002
1-[6-[(1R)-1-hydroxy-2-[(3S)-3-methylpiperidin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one
CID 51872126
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanol
CID 16676851
4-[(2S)-2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-hydroxyethyl]-1-cyclohexylpiperazin-2-one
CID 51500996
1-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one
CID 46965271
1-[6-[1-hydroxy-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 46965244
1-[5-(1-hydroxy-2-pyrrolidin-1-ylethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropan-1-one
CID 16676715

Frequently Asked Questions

What is the IUPAC name of [6-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone?
The IUPAC name of [6-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone (CID 46965260) is [6-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [6-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [6-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCCc2cc(C(O)CN3CCC4CCCCC4C3)ccc21.
What is the InChIKey of [6-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone?
The InChIKey is FCLGTCLZAQCHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c27-23(16-25-13-11-17-4-1-2-5-21(17)15-25)20-9-10-22-19(14-20)6-3-12-26(22)24(28)18-7-8-18/h9-10,14,17-18,21,23,27H,1-8,11-13,15-16H2.
What are the key properties of [6-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone?
[6-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone has a molecular weight of 382.55 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 46965260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).