2,3-dihydroindol-1-yl-(6-methyl-1H-indol-2-yl)methanone

C18H16N2O — CID 113207338

IUPAC2,3-dihydroindol-1-yl-(6-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2cc(C(=O)N3CCc4ccccc43)[nH]c2c1
InChIInChI=1S/C18H16N2O/c1-12-6-7-14-11-16(19-15(14)10-12)18(21)20-9-8-13-4-2-3-5-17(13)20/h2-7,10-11,19H,8-9H2,1H3
InChIKeyPMKAPFKDUKHFIS-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.68
Rot. Bonds1

About 2,3-dihydroindol-1-yl-(6-methyl-1H-indol-2-yl)methanone

2,3-dihydroindol-1-yl-(6-methyl-1H-indol-2-yl)methanone (PubChem CID 113207338) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(6-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(6-methyl-1H-indol-2-yl)methanone
PubChem CID113207338
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2,3-dihydroindol-1-yl-(6-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2cc(C(=O)N3CCc4ccccc43)[nH]c2c1
InChIInChI=1S/C18H16N2O/c1-12-6-7-14-11-16(19-15(14)10-12)18(21)20-9-8-13-4-2-3-5-17(13)20/h2-7,10-11,19H,8-9H2,1H3
InChIKeyPMKAPFKDUKHFIS-UHFFFAOYSA-N
XLogP3.68
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,3-dihydroindole-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 110698689
1-(2,3-dihydroindol-1-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-one
CID 4819310
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2H-isoquinolin-1-one
CID 78802141
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone
CID 17476941
2,3-dihydroindol-1-yl-(6-methyl-2-pyridinyl)methanone
CID 33315959
4-(2,3-dihydroindole-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide
CID 109049527
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide
CID 110901916
(6-methyl-1H-indol-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone
CID 167830899
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-methylphenyl)-1H-pyrazol-3-one
CID 71926692
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
(6-methyl-1H-indol-2-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95290652

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(6-methyl-1H-indol-2-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(6-methyl-1H-indol-2-yl)methanone (CID 113207338) is 2,3-dihydroindol-1-yl-(6-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(6-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(6-methyl-1H-indol-2-yl)methanone is Cc1ccc2cc(C(=O)N3CCc4ccccc43)[nH]c2c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-(6-methyl-1H-indol-2-yl)methanone?
The InChIKey is PMKAPFKDUKHFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-12-6-7-14-11-16(19-15(14)10-12)18(21)20-9-8-13-4-2-3-5-17(13)20/h2-7,10-11,19H,8-9H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-(6-methyl-1H-indol-2-yl)methanone?
2,3-dihydroindol-1-yl-(6-methyl-1H-indol-2-yl)methanone has a molecular weight of 276.34 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(6-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 113207338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).