3-(2-methyl-2,3-dihydroindole-1-carbonyl)-2H-isoquinolin-1-one

C19H16N2O2 — CID 78802140

IUPAC3-(2-methyl-2,3-dihydroindole-1-carbonyl)-2H-isoquinolin-1-one
SMILESCC1Cc2ccccc2N1C(=O)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H16N2O2/c1-12-10-14-7-3-5-9-17(14)21(12)19(23)16-11-13-6-2-4-8-15(13)18(22)20-16/h2-9,11-12H,10H2,1H3,(H,20,22)
InChIKeyXUNYUBZFAFGVHW-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.12
Rot. Bonds1

About 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-2H-isoquinolin-1-one

3-(2-methyl-2,3-dihydroindole-1-carbonyl)-2H-isoquinolin-1-one (PubChem CID 78802140) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name3-(2-methyl-2,3-dihydroindole-1-carbonyl)-2H-isoquinolin-1-one
PubChem CID78802140
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name3-(2-methyl-2,3-dihydroindole-1-carbonyl)-2H-isoquinolin-1-one
SMILESCC1Cc2ccccc2N1C(=O)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H16N2O2/c1-12-10-14-7-3-5-9-17(14)21(12)19(23)16-11-13-6-2-4-8-15(13)18(22)20-16/h2-9,11-12H,10H2,1H3,(H,20,22)
InChIKeyXUNYUBZFAFGVHW-UHFFFAOYSA-N
XLogP3.12
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one
CID 107362801
4-(4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-2-one
CID 110295479
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(3-methoxynaphthalen-2-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 26910968
5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one
CID 43083133
(2-methyl-2,3-dihydroindol-1-yl)-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 3186577
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-6-one
CID 136655090
5-methyl-1-(1-oxo-2H-isoquinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 122119148
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] anthracene-9-carboxylate
CID 5161370
(3,5-dimethyl-1H-indol-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 84578405
(3S,4S)-1-(1-oxo-2H-isoquinoline-3-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120949191
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-2H-isoquinolin-1-one?
The IUPAC name of 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-2H-isoquinolin-1-one (CID 78802140) is 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-2H-isoquinolin-1-one.
What is the SMILES notation for 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-2H-isoquinolin-1-one?
The canonical SMILES for 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-2H-isoquinolin-1-one is CC1Cc2ccccc2N1C(=O)c1cc2ccccc2c(=O)[nH]1.
What is the InChIKey of 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-2H-isoquinolin-1-one?
The InChIKey is XUNYUBZFAFGVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-12-10-14-7-3-5-9-17(14)21(12)19(23)16-11-13-6-2-4-8-15(13)18(22)20-16/h2-9,11-12H,10H2,1H3,(H,20,22).
What are the key properties of 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-2H-isoquinolin-1-one?
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-2H-isoquinolin-1-one has a molecular weight of 304.35 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-2H-isoquinolin-1-one is sourced from PubChem (CID 78802140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).