1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)-2-methylpropan-1-one

C21H22N2O — CID 113209001

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCCc2ccccc21)c1c[nH]c2ccccc12
InChIInChI=1S/C21H22N2O/c1-21(2,17-14-22-18-11-5-4-10-16(17)18)20(24)23-13-7-9-15-8-3-6-12-19(15)23/h3-6,8,10-12,14,22H,7,9,13H2,1-2H3
InChIKeyDUGHTPDSZGBTJW-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.42
Rot. Bonds2

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)-2-methylpropan-1-one

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)-2-methylpropan-1-one (PubChem CID 113209001) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)-2-methylpropan-1-one
PubChem CID113209001
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)N1CCCc2ccccc21)c1c[nH]c2ccccc12
InChIInChI=1S/C21H22N2O/c1-21(2,17-14-22-18-11-5-4-10-16(17)18)20(24)23-13-7-9-15-8-3-6-12-19(15)23/h3-6,8,10-12,14,22H,7,9,13H2,1-2H3
InChIKeyDUGHTPDSZGBTJW-UHFFFAOYSA-N
XLogP4.42
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)-2-methylpropan-1-one with MolForge

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Related Compounds

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888835
ethyl 4-[2-(1H-indol-3-yl)-2-methylpropanoyl]piperazine-1-carboxylate
CID 113208970
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108505742
3,4-dihydro-2H-quinolin-1-yl(1H-indol-4-yl)methanone
CID 43582707
1-(4-acetylpiperazin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropane-1,3-dione
CID 108961236
3,4-dihydro-2H-quinolin-1-yl-(5-methoxy-1H-indol-3-yl)methanone
CID 113206041
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659250
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethane-1,2-dione
CID 113208636
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 113211353
N-tert-butyl-2-(1H-indol-3-yl)-2-methylpropanamide
CID 113208983
N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 135794199

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)-2-methylpropan-1-one (CID 113209001) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)-2-methylpropan-1-one is CC(C)(C(=O)N1CCCc2ccccc21)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)-2-methylpropan-1-one?
The InChIKey is DUGHTPDSZGBTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-21(2,17-14-22-18-11-5-4-10-16(17)18)20(24)23-13-7-9-15-8-3-6-12-19(15)23/h3-6,8,10-12,14,22H,7,9,13H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)-2-methylpropan-1-one?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)-2-methylpropan-1-one has a molecular weight of 318.42 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)-2-methylpropan-1-one is sourced from PubChem (CID 113209001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).