1H-indol-2-yl-(5-methoxy-1H-indol-2-yl)methanone

C18H14N2O2 — CID 5330527

IUPAC1H-indol-2-yl-(5-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C18H14N2O2/c1-22-13-6-7-15-12(8-13)10-17(20-15)18(21)16-9-11-4-2-3-5-14(11)19-16/h2-10,19-20H,1H3
InChIKeyQTIQVLAVCXXZPS-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.89
Rot. Bonds3

About 1H-indol-2-yl-(5-methoxy-1H-indol-2-yl)methanone

1H-indol-2-yl-(5-methoxy-1H-indol-2-yl)methanone (PubChem CID 5330527) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1H-indol-2-yl-(5-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name1H-indol-2-yl-(5-methoxy-1H-indol-2-yl)methanone
PubChem CID5330527
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name1H-indol-2-yl-(5-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C18H14N2O2/c1-22-13-6-7-15-12(8-13)10-17(20-15)18(21)16-9-11-4-2-3-5-14(11)19-16/h2-10,19-20H,1H3
InChIKeyQTIQVLAVCXXZPS-UHFFFAOYSA-N
XLogP3.89
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methoxyindole-2-carboxylic acid
CID 20401
Go 6983
CID 3499
Asp-9521
CID 25210792
5-Methoxy-2-phenylindole
CID 292850
2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one
CID 87372
Koeniginequinone A
CID 11264975
methyl 6-methoxy-9H-carbazole-3-carboxylate
CID 14804151
Ethyl 5-methoxyindole-2-carboxylate
CID 20926
5-(phenylmethoxy)-1H-indole-2-carboxylic acid
CID 81146
3-Methoxy-9H-carbazole
CID 519621
5-Methoxy-2-methylindole-3-acetic acid
CID 76151
6-methoxy-9H-carbazole-3-carbaldehyde
CID 5278452

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-(5-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of 1H-indol-2-yl-(5-methoxy-1H-indol-2-yl)methanone (CID 5330527) is 1H-indol-2-yl-(5-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for 1H-indol-2-yl-(5-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for 1H-indol-2-yl-(5-methoxy-1H-indol-2-yl)methanone is COc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1.
What is the InChIKey of 1H-indol-2-yl-(5-methoxy-1H-indol-2-yl)methanone?
The InChIKey is QTIQVLAVCXXZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-22-13-6-7-15-12(8-13)10-17(20-15)18(21)16-9-11-4-2-3-5-14(11)19-16/h2-10,19-20H,1H3.
What are the key properties of 1H-indol-2-yl-(5-methoxy-1H-indol-2-yl)methanone?
1H-indol-2-yl-(5-methoxy-1H-indol-2-yl)methanone has a molecular weight of 290.32 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-(5-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 5330527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).