2-(1H-indol-3-yl)-1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone

C20H20N2O2 — CID 110749663

IUPAC2-(1H-indol-3-yl)-1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCOc1ccc2c(c1)N(C(=O)Cc1c[nH]c3ccccc13)CCC2
InChIInChI=1S/C20H20N2O2/c1-24-16-9-8-14-5-4-10-22(19(14)12-16)20(23)11-15-13-21-18-7-3-2-6-17(15)18/h2-3,6-9,12-13,21H,4-5,10-11H2,1H3
InChIKeyTZIVQSFKTXNCIR-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.70
Rot. Bonds3

About 2-(1H-indol-3-yl)-1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone

2-(1H-indol-3-yl)-1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 110749663) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID110749663
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-(1H-indol-3-yl)-1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCOc1ccc2c(c1)N(C(=O)Cc1c[nH]c3ccccc13)CCC2
InChIInChI=1S/C20H20N2O2/c1-24-16-9-8-14-5-4-10-22(19(14)12-16)20(23)11-15-13-21-18-7-3-2-6-17(15)18/h2-3,6-9,12-13,21H,4-5,10-11H2,1H3
InChIKeyTZIVQSFKTXNCIR-UHFFFAOYSA-N
XLogP3.70
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1H-indol-3-yl)-1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone with MolForge

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 110856984
1-(6-amino-2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanone
CID 28707109
1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
CID 110749866
2-(1H-indol-3-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 47016880
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
3,4-dihydro-2H-quinolin-1-yl-(5-methoxy-1H-indol-3-yl)methanone
CID 113206041
3,4-dihydro-2H-quinolin-1-yl-(6-methoxy-1H-indol-3-yl)methanone
CID 113206601
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659250
tert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 59556816
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone
CID 18122079
N,N-diethyl-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 78873057
1-[2-(1H-indol-3-yl)acetyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007464

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 110749663) is 2-(1H-indol-3-yl)-1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone is COc1ccc2c(c1)N(C(=O)Cc1c[nH]c3ccccc13)CCC2.
What is the InChIKey of 2-(1H-indol-3-yl)-1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is TZIVQSFKTXNCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-24-16-9-8-14-5-4-10-22(19(14)12-16)20(23)11-15-13-21-18-7-3-2-6-17(15)18/h2-3,6-9,12-13,21H,4-5,10-11H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-(1H-indol-3-yl)-1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 320.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 110749663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).