(3-methoxynaphthalen-2-yl)-(1-pentylindol-3-yl)methanone

C25H25NO2 — CID 44581023

IUPAC(3-methoxynaphthalen-2-yl)-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2cc3ccccc3cc2OC)c2ccccc21
InChIInChI=1S/C25H25NO2/c1-3-4-9-14-26-17-22(20-12-7-8-13-23(20)26)25(27)21-15-18-10-5-6-11-19(18)16-24(21)28-2/h5-8,10-13,15-17H,3-4,9,14H2,1-2H3
InChIKeyBVVUJHUFFPAHCS-UHFFFAOYSA-N
MW371.48 g/mol
LogP6.22
Rot. Bonds7

About (3-methoxynaphthalen-2-yl)-(1-pentylindol-3-yl)methanone

(3-methoxynaphthalen-2-yl)-(1-pentylindol-3-yl)methanone (PubChem CID 44581023) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (3-methoxynaphthalen-2-yl)-(1-pentylindol-3-yl)methanone.

Molecular Properties

Compound Name(3-methoxynaphthalen-2-yl)-(1-pentylindol-3-yl)methanone
PubChem CID44581023
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name(3-methoxynaphthalen-2-yl)-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2cc3ccccc3cc2OC)c2ccccc21
InChIInChI=1S/C25H25NO2/c1-3-4-9-14-26-17-22(20-12-7-8-13-23(20)26)25(27)21-15-18-10-5-6-11-19(18)16-24(21)28-2/h5-8,10-13,15-17H,3-4,9,14H2,1-2H3
InChIKeyBVVUJHUFFPAHCS-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 (3-methoxynaphthalen-2-yl)-(1-pentylindol-3-yl)methanone?
The IUPAC name of (3-methoxynaphthalen-2-yl)-(1-pentylindol-3-yl)methanone (CID 44581023) is (3-methoxynaphthalen-2-yl)-(1-pentylindol-3-yl)methanone.
What is the SMILES notation for (3-methoxynaphthalen-2-yl)-(1-pentylindol-3-yl)methanone?
The canonical SMILES for (3-methoxynaphthalen-2-yl)-(1-pentylindol-3-yl)methanone is CCCCCn1cc(C(=O)c2cc3ccccc3cc2OC)c2ccccc21.
What is the InChIKey of (3-methoxynaphthalen-2-yl)-(1-pentylindol-3-yl)methanone?
The InChIKey is BVVUJHUFFPAHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-3-4-9-14-26-17-22(20-12-7-8-13-23(20)26)25(27)21-15-18-10-5-6-11-19(18)16-24(21)28-2/h5-8,10-13,15-17H,3-4,9,14H2,1-2H3.
What are the key properties of (3-methoxynaphthalen-2-yl)-(1-pentylindol-3-yl)methanone?
(3-methoxynaphthalen-2-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 (3-methoxynaphthalen-2-yl)-(1-pentylindol-3-yl)methanone is sourced from PubChem (CID 44581023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).