1-(2,3-dihydroindol-1-yl)-2-quinolin-8-yloxyethanone

C19H16N2O2 — CID 757469

IUPAC1-(2,3-dihydroindol-1-yl)-2-quinolin-8-yloxyethanone
SMILESO=C(COc1cccc2cccnc12)N1CCc2ccccc21
InChIInChI=1S/C19H16N2O2/c22-18(21-12-10-14-5-1-2-8-16(14)21)13-23-17-9-3-6-15-7-4-11-20-19(15)17/h1-9,11H,10,12-13H2
InChIKeyBZYGBRRUVLWNOE-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.20
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-quinolin-8-yloxyethanone

1-(2,3-dihydroindol-1-yl)-2-quinolin-8-yloxyethanone (PubChem CID 757469) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-quinolin-8-yloxyethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-quinolin-8-yloxyethanone
PubChem CID757469
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-quinolin-8-yloxyethanone
SMILESO=C(COc1cccc2cccnc12)N1CCc2ccccc21
InChIInChI=1S/C19H16N2O2/c22-18(21-12-10-14-5-1-2-8-16(14)21)13-23-17-9-3-6-15-7-4-11-20-19(15)17/h1-9,11H,10,12-13H2
InChIKeyBZYGBRRUVLWNOE-UHFFFAOYSA-N
XLogP3.20
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.20
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-quinolin-8-yloxyethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-quinolin-8-yloxyethanone (CID 757469) is 1-(2,3-dihydroindol-1-yl)-2-quinolin-8-yloxyethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-quinolin-8-yloxyethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-quinolin-8-yloxyethanone is O=C(COc1cccc2cccnc12)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-quinolin-8-yloxyethanone?
The InChIKey is BZYGBRRUVLWNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-18(21-12-10-14-5-1-2-8-16(14)21)13-23-17-9-3-6-15-7-4-11-20-19(15)17/h1-9,11H,10,12-13H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-quinolin-8-yloxyethanone?
1-(2,3-dihydroindol-1-yl)-2-quinolin-8-yloxyethanone has a molecular weight of 304.35 g/mol, XLogP of 3.20, 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-quinolin-8-yloxyethanone is sourced from PubChem (CID 757469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).