3-(2,3-dihydroindol-1-yl)-8-methyl-1H-quinolin-2-one

C18H16N2O — CID 14627403

IUPAC3-(2,3-dihydroindol-1-yl)-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2cc(N3CCc4ccccc43)c(=O)[nH]c12
InChIInChI=1S/C18H16N2O/c1-12-5-4-7-14-11-16(18(21)19-17(12)14)20-10-9-13-6-2-3-8-15(13)20/h2-8,11H,9-10H2,1H3,(H,19,21)
InChIKeyKPZITZAZLJXYMO-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.53
Rot. Bonds1

About 3-(2,3-dihydroindol-1-yl)-8-methyl-1H-quinolin-2-one

3-(2,3-dihydroindol-1-yl)-8-methyl-1H-quinolin-2-one (PubChem CID 14627403) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-8-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-8-methyl-1H-quinolin-2-one
PubChem CID14627403
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name3-(2,3-dihydroindol-1-yl)-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2cc(N3CCc4ccccc43)c(=O)[nH]c12
InChIInChI=1S/C18H16N2O/c1-12-5-4-7-14-11-16(18(21)19-17(12)14)20-10-9-13-6-2-3-8-15(13)20/h2-8,11H,9-10H2,1H3,(H,19,21)
InChIKeyKPZITZAZLJXYMO-UHFFFAOYSA-N
XLogP3.53
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-8-methyl-1H-quinolin-2-one?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-8-methyl-1H-quinolin-2-one (CID 14627403) is 3-(2,3-dihydroindol-1-yl)-8-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-8-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-8-methyl-1H-quinolin-2-one is Cc1cccc2cc(N3CCc4ccccc43)c(=O)[nH]c12.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-8-methyl-1H-quinolin-2-one?
The InChIKey is KPZITZAZLJXYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-12-5-4-7-14-11-16(18(21)19-17(12)14)20-10-9-13-6-2-3-8-15(13)20/h2-8,11H,9-10H2,1H3,(H,19,21).
What are the key properties of 3-(2,3-dihydroindol-1-yl)-8-methyl-1H-quinolin-2-one?
3-(2,3-dihydroindol-1-yl)-8-methyl-1H-quinolin-2-one has a molecular weight of 276.34 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-8-methyl-1H-quinolin-2-one is sourced from PubChem (CID 14627403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).