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

C25H25NO2 — CID 45271217

IUPAC(7-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2cccc3ccc(OC)cc23)c2ccccc21
InChIInChI=1S/C25H25NO2/c1-3-4-7-15-26-17-23(20-10-5-6-12-24(20)26)25(27)21-11-8-9-18-13-14-19(28-2)16-22(18)21/h5-6,8-14,16-17H,3-4,7,15H2,1-2H3
InChIKeyIJNSZBAEVYRFCH-UHFFFAOYSA-N
MW371.48 g/mol
LogP6.22
Rot. Bonds7

About (7-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone

(7-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone (PubChem CID 45271217) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (7-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone.

Molecular Properties

Compound Name(7-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
PubChem CID45271217
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name(7-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2cccc3ccc(OC)cc23)c2ccccc21
InChIInChI=1S/C25H25NO2/c1-3-4-7-15-26-17-23(20-10-5-6-12-24(20)26)25(27)21-11-8-9-18-13-14-19(28-2)16-22(18)21/h5-6,8-14,16-17H,3-4,7,15H2,1-2H3
InChIKeyIJNSZBAEVYRFCH-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 (7-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

Related Compounds

(4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 56841530
AM-630
CID 4302963
Tiplasinin
CID 6450819
Jwh 081
CID 10547208
Jwh 250
CID 44397540
Pravadoline
CID 56463
Jwh 302
CID 11493740
2-Methyl-1-pentyl-3-(4-methoxynaphthoyl)indole
CID 45272116
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
CID 211017
SR-18
CID 53394099
NM-2201
CID 91864534

Frequently Asked Questions

What is the IUPAC name of (7-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The IUPAC name of (7-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone (CID 45271217) is (7-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone.
What is the SMILES notation for (7-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The canonical SMILES for (7-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone is CCCCCn1cc(C(=O)c2cccc3ccc(OC)cc23)c2ccccc21.
What is the InChIKey of (7-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The InChIKey is IJNSZBAEVYRFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-3-4-7-15-26-17-23(20-10-5-6-12-24(20)26)25(27)21-11-8-9-18-13-14-19(28-2)16-22(18)21/h5-6,8-14,16-17H,3-4,7,15H2,1-2H3.
What are the key properties of (7-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
(7-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 (7-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone is sourced from PubChem (CID 45271217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).