(1-butyl-7-methoxyindol-3-yl)-naphthalen-1-ylmethanone

C24H23NO2 — CID 71683085

IUPAC(1-butyl-7-methoxyindol-3-yl)-naphthalen-1-ylmethanone
SMILESCCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(OC)c21
InChIInChI=1S/C24H23NO2/c1-3-4-15-25-16-21(19-12-8-14-22(27-2)23(19)25)24(26)20-13-7-10-17-9-5-6-11-18(17)20/h5-14,16H,3-4,15H2,1-2H3
InChIKeyVYSXHDSWRSDRDQ-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.83
Rot. Bonds6

About (1-butyl-7-methoxyindol-3-yl)-naphthalen-1-ylmethanone

(1-butyl-7-methoxyindol-3-yl)-naphthalen-1-ylmethanone (PubChem CID 71683085) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is (1-butyl-7-methoxyindol-3-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(1-butyl-7-methoxyindol-3-yl)-naphthalen-1-ylmethanone
PubChem CID71683085
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name(1-butyl-7-methoxyindol-3-yl)-naphthalen-1-ylmethanone
SMILESCCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(OC)c21
InChIInChI=1S/C24H23NO2/c1-3-4-15-25-16-21(19-12-8-14-22(27-2)23(19)25)24(26)20-13-7-10-17-9-5-6-11-18(17)20/h5-14,16H,3-4,15H2,1-2H3
InChIKeyVYSXHDSWRSDRDQ-UHFFFAOYSA-N
XLogP5.83
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-butyl-7-methoxyindol-3-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (1-butyl-7-methoxyindol-3-yl)-naphthalen-1-ylmethanone (CID 71683085) is (1-butyl-7-methoxyindol-3-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (1-butyl-7-methoxyindol-3-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (1-butyl-7-methoxyindol-3-yl)-naphthalen-1-ylmethanone is CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(OC)c21.
What is the InChIKey of (1-butyl-7-methoxyindol-3-yl)-naphthalen-1-ylmethanone?
The InChIKey is VYSXHDSWRSDRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-3-4-15-25-16-21(19-12-8-14-22(27-2)23(19)25)24(26)20-13-7-10-17-9-5-6-11-18(17)20/h5-14,16H,3-4,15H2,1-2H3.
What are the key properties of (1-butyl-7-methoxyindol-3-yl)-naphthalen-1-ylmethanone?
(1-butyl-7-methoxyindol-3-yl)-naphthalen-1-ylmethanone has a molecular weight of 357.45 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-7-methoxyindol-3-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 71683085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).