[5-[3-(dimethylamino)propoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone

C22H23N3O2 — CID 5330539

IUPAC[5-[3-(dimethylamino)propoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone
SMILESCN(C)CCCOc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C22H23N3O2/c1-25(2)10-5-11-27-17-8-9-19-16(12-17)14-21(24-19)22(26)20-13-15-6-3-4-7-18(15)23-20/h3-4,6-9,12-14,23-24H,5,10-11H2,1-2H3
InChIKeySXFHYOPBKFNFKX-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.21
Rot. Bonds7

About [5-[3-(dimethylamino)propoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone

[5-[3-(dimethylamino)propoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone (PubChem CID 5330539) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is [5-[3-(dimethylamino)propoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[5-[3-(dimethylamino)propoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone
PubChem CID5330539
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name[5-[3-(dimethylamino)propoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone
SMILESCN(C)CCCOc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C22H23N3O2/c1-25(2)10-5-11-27-17-8-9-19-16(12-17)14-21(24-19)22(26)20-13-15-6-3-4-7-18(15)23-20/h3-4,6-9,12-14,23-24H,5,10-11H2,1-2H3
InChIKeySXFHYOPBKFNFKX-UHFFFAOYSA-N
XLogP4.21
TPSA61.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Abecarnil
CID 65914
Ethyl 4-(methoxymethyl)-6-(phenylmethoxy)-9H-pyrido(3,4-b)indole-3-carboxylate
CID 121926
Go 6983
CID 3499
Asp-9521
CID 25210792
2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one
CID 87372
methyl 6-methoxy-9H-carbazole-3-carboxylate
CID 14804151
Piperazine, 1-((5-methoxyindol-2-yl)carbonyl)-4-methyl-
CID 206876
Ethyl 5-methoxyindole-2-carboxylate
CID 20926
5-(phenylmethoxy)-1H-indole-2-carboxylic acid
CID 81146
6-methoxy-9H-carbazole-3-carbaldehyde
CID 5278452
2-(1-Benzyl-5-methoxy-2-methyl-1h-indol-3-yl)acetamide
CID 244154
5-methoxy-3-[N-(4-(4-fluoro-phenyl)-4-oxo-butyl)-1,2,5,6-tetrahydro-pyridin-3-ylmethyl]-1H-indole
CID 9866050

Frequently Asked Questions

What is the IUPAC name of [5-[3-(dimethylamino)propoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [5-[3-(dimethylamino)propoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone (CID 5330539) is [5-[3-(dimethylamino)propoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [5-[3-(dimethylamino)propoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [5-[3-(dimethylamino)propoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone is CN(C)CCCOc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1.
What is the InChIKey of [5-[3-(dimethylamino)propoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone?
The InChIKey is SXFHYOPBKFNFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-25(2)10-5-11-27-17-8-9-19-16(12-17)14-21(24-19)22(26)20-13-15-6-3-4-7-18(15)23-20/h3-4,6-9,12-14,23-24H,5,10-11H2,1-2H3.
What are the key properties of [5-[3-(dimethylamino)propoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone?
[5-[3-(dimethylamino)propoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone has a molecular weight of 361.45 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(dimethylamino)propoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 5330539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).