1-butyl-7-methoxy-3-naphthalen-1-ylindole

C23H23NO — CID 71680885

IUPAC1-butyl-7-methoxy-3-naphthalen-1-ylindole
SMILESCCCCn1cc(-c2cccc3ccccc23)c2cccc(OC)c21
InChIInChI=1S/C23H23NO/c1-3-4-15-24-16-21(20-13-8-14-22(25-2)23(20)24)19-12-7-10-17-9-5-6-11-18(17)19/h5-14,16H,3-4,15H2,1-2H3
InChIKeyLGIVATMJCZXKMJ-UHFFFAOYSA-N
MW329.44 g/mol
LogP6.27
Rot. Bonds5

About 1-butyl-7-methoxy-3-naphthalen-1-ylindole

1-butyl-7-methoxy-3-naphthalen-1-ylindole (PubChem CID 71680885) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-butyl-7-methoxy-3-naphthalen-1-ylindole.

Molecular Properties

Compound Name1-butyl-7-methoxy-3-naphthalen-1-ylindole
PubChem CID71680885
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name1-butyl-7-methoxy-3-naphthalen-1-ylindole
SMILESCCCCn1cc(-c2cccc3ccccc23)c2cccc(OC)c21
InChIInChI=1S/C23H23NO/c1-3-4-15-24-16-21(20-13-8-14-22(25-2)23(20)24)19-12-7-10-17-9-5-6-11-18(17)19/h5-14,16H,3-4,15H2,1-2H3
InChIKeyLGIVATMJCZXKMJ-UHFFFAOYSA-N
XLogP6.27
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-methoxy-1H-indol-3-yl)ethan-1-amine
CID 17087
Pbox-6
CID 9865511
Pbox-15
CID 10202072
7-Benzyloxytryptamine
CID 260806
(1-Butyl-7-methoxyindol-3-yl)-naphthalen-1-ylmethanone
CID 71683085
[2-(1-Benzyl-5-methoxy-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 3028929
[2-(5-Methoxy-1-methyl-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 44263956
7-Benzyloxygramine
CID 260807
8-[2-(3-Naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct-2-en-8-yl)-ethoxy]-quinoline
CID 20595541
9-Methoxy-5,6,11-trimethylpyrido[4,3-b]carbazole
CID 97260
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-naphthalen-1-yl-pyridine
CID 10426041
Dimethyl-carbamic acid 5-naphthalen-2-yl-6-oxa-10b-aza-benzo[e]azulen-4-yl ester
CID 10644439

Frequently Asked Questions

What is the IUPAC name of 1-butyl-7-methoxy-3-naphthalen-1-ylindole?
The IUPAC name of 1-butyl-7-methoxy-3-naphthalen-1-ylindole (CID 71680885) is 1-butyl-7-methoxy-3-naphthalen-1-ylindole.
What is the SMILES notation for 1-butyl-7-methoxy-3-naphthalen-1-ylindole?
The canonical SMILES for 1-butyl-7-methoxy-3-naphthalen-1-ylindole is CCCCn1cc(-c2cccc3ccccc23)c2cccc(OC)c21.
What is the InChIKey of 1-butyl-7-methoxy-3-naphthalen-1-ylindole?
The InChIKey is LGIVATMJCZXKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-3-4-15-24-16-21(20-13-8-14-22(25-2)23(20)24)19-12-7-10-17-9-5-6-11-18(17)19/h5-14,16H,3-4,15H2,1-2H3.
What are the key properties of 1-butyl-7-methoxy-3-naphthalen-1-ylindole?
1-butyl-7-methoxy-3-naphthalen-1-ylindole has a molecular weight of 329.44 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-7-methoxy-3-naphthalen-1-ylindole is sourced from PubChem (CID 71680885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).