(6-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone

C25H25NO2 — CID 11372171

IUPAC(6-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2cccc3cc(OC)ccc23)c2ccccc21
InChIInChI=1S/C25H25NO2/c1-3-4-7-15-26-17-23(21-10-5-6-12-24(21)26)25(27)22-11-8-9-18-16-19(28-2)13-14-20(18)22/h5-6,8-14,16-17H,3-4,7,15H2,1-2H3
InChIKeyJCOOBICVPDFZNX-UHFFFAOYSA-N
MW371.48 g/mol
LogP6.22
Rot. Bonds7

About (6-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone

(6-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone (PubChem CID 11372171) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (6-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone.

Molecular Properties

Compound Name(6-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
PubChem CID11372171
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name(6-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2cccc3cc(OC)ccc23)c2ccccc21
InChIInChI=1S/C25H25NO2/c1-3-4-7-15-26-17-23(21-10-5-6-12-24(21)26)25(27)22-11-8-9-18-16-19(28-2)13-14-20(18)22/h5-6,8-14,16-17H,3-4,7,15H2,1-2H3
InChIKeyJCOOBICVPDFZNX-UHFFFAOYSA-N
XLogP6.22
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The IUPAC name of (6-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone (CID 11372171) is (6-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone.
What is the SMILES notation for (6-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The canonical SMILES for (6-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone is CCCCCn1cc(C(=O)c2cccc3cc(OC)ccc23)c2ccccc21.
What is the InChIKey of (6-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The InChIKey is JCOOBICVPDFZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-3-4-7-15-26-17-23(21-10-5-6-12-24(21)26)25(27)22-11-8-9-18-16-19(28-2)13-14-20(18)22/h5-6,8-14,16-17H,3-4,7,15H2,1-2H3.
What are the key properties of (6-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
(6-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone has a molecular weight of 371.48 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone is sourced from PubChem (CID 11372171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).