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

C25H25NO2 — CID 10547208

IUPAC(4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2ccc(OC)c3ccccc23)c2ccccc21
InChIInChI=1S/C25H25NO2/c1-3-4-9-16-26-17-22(19-11-7-8-13-23(19)26)25(27)21-14-15-24(28-2)20-12-6-5-10-18(20)21/h5-8,10-15,17H,3-4,9,16H2,1-2H3
InChIKeyUBMPKJKGUQDHRM-UHFFFAOYSA-N
MW371.48 g/mol
LogP6.22
Rot. Bonds7

About (4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone

(4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone (PubChem CID 10547208) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
PubChem CID10547208
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name(4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2ccc(OC)c3ccccc23)c2ccccc21
InChIInChI=1S/C25H25NO2/c1-3-4-9-16-26-17-22(19-11-7-8-13-23(19)26)25(27)21-14-15-24(28-2)20-12-6-5-10-18(20)21/h5-8,10-15,17H,3-4,9,16H2,1-2H3
InChIKeyUBMPKJKGUQDHRM-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'}

Analyze (4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The IUPAC name of (4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone (CID 10547208) is (4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone.
What is the SMILES notation for (4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The canonical SMILES for (4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone is CCCCCn1cc(C(=O)c2ccc(OC)c3ccccc23)c2ccccc21.
What is the InChIKey of (4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The InChIKey is UBMPKJKGUQDHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-3-4-9-16-26-17-22(19-11-7-8-13-23(19)26)25(27)21-14-15-24(28-2)20-12-6-5-10-18(20)21/h5-8,10-15,17H,3-4,9,16H2,1-2H3.
What are the key properties of (4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
(4-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 (4-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone is sourced from PubChem (CID 10547208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).