1-(2,3-dihydroindol-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone

C20H18N2O2 — CID 2461903

IUPAC1-(2,3-dihydroindol-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone
SMILESCc1ccc2cccc(OCC(=O)N3CCc4ccccc43)c2n1
InChIInChI=1S/C20H18N2O2/c1-14-9-10-16-6-4-8-18(20(16)21-14)24-13-19(23)22-12-11-15-5-2-3-7-17(15)22/h2-10H,11-13H2,1H3
InChIKeyMXDIZUNMLPSFCK-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.51
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone

1-(2,3-dihydroindol-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone (PubChem CID 2461903) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone
PubChem CID2461903
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone
SMILESCc1ccc2cccc(OCC(=O)N3CCc4ccccc43)c2n1
InChIInChI=1S/C20H18N2O2/c1-14-9-10-16-6-4-8-18(20(16)21-14)24-13-19(23)22-12-11-15-5-2-3-7-17(15)22/h2-10H,11-13H2,1H3
InChIKeyMXDIZUNMLPSFCK-UHFFFAOYSA-N
XLogP3.51
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone (CID 2461903) is 1-(2,3-dihydroindol-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone is Cc1ccc2cccc(OCC(=O)N3CCc4ccccc43)c2n1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone?
The InChIKey is MXDIZUNMLPSFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-14-9-10-16-6-4-8-18(20(16)21-14)24-13-19(23)22-12-11-15-5-2-3-7-17(15)22/h2-10H,11-13H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone?
1-(2,3-dihydroindol-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone has a molecular weight of 318.38 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone is sourced from PubChem (CID 2461903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).