1-(1,3-dihydroisoindol-2-yl)-3-(1-methylindol-3-yl)propan-1-one

C20H20N2O — CID 141396393

IUPAC1-(1,3-dihydroisoindol-2-yl)-3-(1-methylindol-3-yl)propan-1-one
SMILESCn1cc(CCC(=O)N2Cc3ccccc3C2)c2ccccc21
InChIInChI=1S/C20H20N2O/c1-21-12-17(18-8-4-5-9-19(18)21)10-11-20(23)22-13-15-6-2-3-7-16(15)14-22/h2-9,12H,10-11,13-14H2,1H3
InChIKeyUGPIDFQJXTYJLW-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.65
Rot. Bonds3

About 1-(1,3-dihydroisoindol-2-yl)-3-(1-methylindol-3-yl)propan-1-one

1-(1,3-dihydroisoindol-2-yl)-3-(1-methylindol-3-yl)propan-1-one (PubChem CID 141396393) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(1,3-dihydroisoindol-2-yl)-3-(1-methylindol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(1,3-dihydroisoindol-2-yl)-3-(1-methylindol-3-yl)propan-1-one
PubChem CID141396393
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name1-(1,3-dihydroisoindol-2-yl)-3-(1-methylindol-3-yl)propan-1-one
SMILESCn1cc(CCC(=O)N2Cc3ccccc3C2)c2ccccc21
InChIInChI=1S/C20H20N2O/c1-21-12-17(18-8-4-5-9-19(18)21)10-11-20(23)22-13-15-6-2-3-7-16(15)14-22/h2-9,12H,10-11,13-14H2,1H3
InChIKeyUGPIDFQJXTYJLW-UHFFFAOYSA-N
XLogP3.65
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(1-methylindol-3-yl)propan-1-one
CID 154841457
4-(1-methylindol-3-yl)butanamide
CID 175206986
methyl 2-[1-[3-(1-methylindol-3-yl)propanoyl]piperidin-4-yl]acetate
CID 71701683
1-(1,3-dihydroisoindol-2-yl)butan-1-one
CID 63613926
N-ethyl-3-(1-methylindol-3-yl)propanamide
CID 167074114
1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-(1-methylindol-3-yl)propan-1-one
CID 71701113
3-(1-methylindol-3-yl)propan-1-amine
CID 3930315
2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 82120795
3-(1-methylindol-3-yl)-N-propan-2-ylpropanamide
CID 110847846
1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799894
1-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-(1-methylindol-3-yl)propan-1-one
CID 97250598
1-[methyl-[3-(1-methylindol-3-yl)propanoyl]amino]cyclopentane-1-carboxamide
CID 75498930

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-3-(1-methylindol-3-yl)propan-1-one?
The IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-3-(1-methylindol-3-yl)propan-1-one (CID 141396393) is 1-(1,3-dihydroisoindol-2-yl)-3-(1-methylindol-3-yl)propan-1-one.
What is the SMILES notation for 1-(1,3-dihydroisoindol-2-yl)-3-(1-methylindol-3-yl)propan-1-one?
The canonical SMILES for 1-(1,3-dihydroisoindol-2-yl)-3-(1-methylindol-3-yl)propan-1-one is Cn1cc(CCC(=O)N2Cc3ccccc3C2)c2ccccc21.
What is the InChIKey of 1-(1,3-dihydroisoindol-2-yl)-3-(1-methylindol-3-yl)propan-1-one?
The InChIKey is UGPIDFQJXTYJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-21-12-17(18-8-4-5-9-19(18)21)10-11-20(23)22-13-15-6-2-3-7-16(15)14-22/h2-9,12H,10-11,13-14H2,1H3.
What are the key properties of 1-(1,3-dihydroisoindol-2-yl)-3-(1-methylindol-3-yl)propan-1-one?
1-(1,3-dihydroisoindol-2-yl)-3-(1-methylindol-3-yl)propan-1-one has a molecular weight of 304.39 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroisoindol-2-yl)-3-(1-methylindol-3-yl)propan-1-one is sourced from PubChem (CID 141396393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).