[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-methyl-1H-inden-2-yl)methanone

C20H25NO — CID 58707882

IUPAC[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-methyl-1H-inden-2-yl)methanone
SMILESCC1=C(C(=O)N2CCC[C@@H]3CCCC[C@H]32)Cc2ccccc21
InChIInChI=1S/C20H25NO/c1-14-17-10-4-2-8-16(17)13-18(14)20(22)21-12-6-9-15-7-3-5-11-19(15)21/h2,4,8,10,15,19H,3,5-7,9,11-13H2,1H3/t15-,19+/m0/s1
InChIKeyHKJSWQDTLZRSLH-HNAYVOBHSA-N
MW295.43 g/mol
LogP4.20
Rot. Bonds1

About [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-methyl-1H-inden-2-yl)methanone

[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-methyl-1H-inden-2-yl)methanone (PubChem CID 58707882) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-methyl-1H-inden-2-yl)methanone.

Molecular Properties

Compound Name[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-methyl-1H-inden-2-yl)methanone
PubChem CID58707882
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-methyl-1H-inden-2-yl)methanone
SMILESCC1=C(C(=O)N2CCC[C@@H]3CCCC[C@H]32)Cc2ccccc21
InChIInChI=1S/C20H25NO/c1-14-17-10-4-2-8-16(17)13-18(14)20(22)21-12-6-9-15-7-3-5-11-19(15)21/h2,4,8,10,15,19H,3,5-7,9,11-13H2,1H3/t15-,19+/m0/s1
InChIKeyHKJSWQDTLZRSLH-HNAYVOBHSA-N
XLogP4.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-methyl-1H-inden-2-yl)methanone 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

[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-methyl-1H-inden-2-yl)methanone
CID 58707760
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829954
2-(2-cyclopentylpyrrolidine-1-carbonyl)fluoren-9-one
CID 55906672
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(pyridin-4-yl)methanone
CID 42892856
1-[4-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]ethanone
CID 95334900
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-amino-2-methylphenyl)methanone
CID 102725146
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
CID 27126630
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
(2-methylphenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 60979228
(2-amino-6-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 61110649
(2-cyclopentylpyrrolidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103951831
2-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110871977

Frequently Asked Questions

What is the IUPAC name of [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-methyl-1H-inden-2-yl)methanone?
The IUPAC name of [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-methyl-1H-inden-2-yl)methanone (CID 58707882) is [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-methyl-1H-inden-2-yl)methanone.
What is the SMILES notation for [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-methyl-1H-inden-2-yl)methanone?
The canonical SMILES for [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-methyl-1H-inden-2-yl)methanone is CC1=C(C(=O)N2CCC[C@@H]3CCCC[C@H]32)Cc2ccccc21.
What is the InChIKey of [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-methyl-1H-inden-2-yl)methanone?
The InChIKey is HKJSWQDTLZRSLH-HNAYVOBHSA-N. The full InChI is InChI=1S/C20H25NO/c1-14-17-10-4-2-8-16(17)13-18(14)20(22)21-12-6-9-15-7-3-5-11-19(15)21/h2,4,8,10,15,19H,3,5-7,9,11-13H2,1H3/t15-,19+/m0/s1.
What are the key properties of [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-methyl-1H-inden-2-yl)methanone?
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-methyl-1H-inden-2-yl)methanone has a molecular weight of 295.43 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-methyl-1H-inden-2-yl)methanone is sourced from PubChem (CID 58707882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).