1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione

C20H18N2O2 — CID 4918874

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione
SMILESCn1cc(C(=O)C(=O)N2CCCc3ccccc32)c2ccccc21
InChIInChI=1S/C20H18N2O2/c1-21-13-16(15-9-3-5-11-18(15)21)19(23)20(24)22-12-6-8-14-7-2-4-10-17(14)22/h2-5,7,9-11,13H,6,8,12H2,1H3
InChIKeyFKFMXRRJFGMUEQ-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.34
Rot. Bonds2

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione (PubChem CID 4918874) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione
PubChem CID4918874
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione
SMILESCn1cc(C(=O)C(=O)N2CCCc3ccccc32)c2ccccc21
InChIInChI=1S/C20H18N2O2/c1-21-13-16(15-9-3-5-11-18(15)21)19(23)20(24)22-12-6-8-14-7-2-4-10-17(14)22/h2-5,7,9-11,13H,6,8,12H2,1H3
InChIKeyFKFMXRRJFGMUEQ-UHFFFAOYSA-N
XLogP3.34
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione (CID 4918874) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione is Cn1cc(C(=O)C(=O)N2CCCc3ccccc32)c2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione?
The InChIKey is FKFMXRRJFGMUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-21-13-16(15-9-3-5-11-18(15)21)19(23)20(24)22-12-6-8-14-7-2-4-10-17(14)22/h2-5,7,9-11,13H,6,8,12H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione has a molecular weight of 318.38 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione is sourced from PubChem (CID 4918874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).