2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanone

C18H24N2O — CID 82752604

IUPAC2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanone
SMILESO=C(C1CCc2ccccc2N1)N1CCC2CCCCC21
InChIInChI=1S/C18H24N2O/c21-18(20-12-11-14-6-2-4-8-17(14)20)16-10-9-13-5-1-3-7-15(13)19-16/h1,3,5,7,14,16-17,19H,2,4,6,8-12H2
InChIKeyYQPPJLUPBAOAPA-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.20
Rot. Bonds1

About 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanone

2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanone (PubChem CID 82752604) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanone
PubChem CID82752604
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanone
SMILESO=C(C1CCc2ccccc2N1)N1CCC2CCCCC21
InChIInChI=1S/C18H24N2O/c21-18(20-12-11-14-6-2-4-8-17(14)20)16-10-9-13-5-1-3-7-15(13)19-16/h1,3,5,7,14,16-17,19H,2,4,6,8-12H2
InChIKeyYQPPJLUPBAOAPA-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(1,2,3,4-tetrahydroquinolin-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

2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
CID 107356320
(3-hydroxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone
CID 61435167
argon;1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 158312958
(4-propan-2-ylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone
CID 103495813
(4-methoxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone
CID 43373219
azepan-2-yl-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 64569542
(3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone
CID 103533859
[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
CID 171722445
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-methylpiperidin-2-yl)methanone
CID 114424404
1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid
CID 61158469
2-[1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidin-2-yl]acetic acid
CID 61371354
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanone?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanone (CID 82752604) is 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanone.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanone?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanone is O=C(C1CCc2ccccc2N1)N1CCC2CCCCC21.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanone?
The InChIKey is YQPPJLUPBAOAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c21-18(20-12-11-14-6-2-4-8-17(14)20)16-10-9-13-5-1-3-7-15(13)19-16/h1,3,5,7,14,16-17,19H,2,4,6,8-12H2.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanone?
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanone has a molecular weight of 284.40 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanone is sourced from PubChem (CID 82752604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).