(6-methoxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone

C25H25NO2 — CID 53394753

IUPAC(6-methoxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone
SMILESCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccc(OC)cc21
InChIInChI=1S/C25H25NO2/c1-3-4-7-15-26-17-23(21-14-13-19(28-2)16-24(21)26)25(27)22-12-8-10-18-9-5-6-11-20(18)22/h5-6,8-14,16-17H,3-4,7,15H2,1-2H3
InChIKeyLQWPINYSBSBWIN-UHFFFAOYSA-N
MW371.48 g/mol
LogP6.22
Rot. Bonds7

About (6-methoxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone

(6-methoxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone (PubChem CID 53394753) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (6-methoxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(6-methoxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone
PubChem CID53394753
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name(6-methoxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone
SMILESCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccc(OC)cc21
InChIInChI=1S/C25H25NO2/c1-3-4-7-15-26-17-23(21-14-13-19(28-2)16-24(21)26)25(27)22-12-8-10-18-9-5-6-11-20(18)22/h5-6,8-14,16-17H,3-4,7,15H2,1-2H3
InChIKeyLQWPINYSBSBWIN-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-methoxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (6-methoxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone (CID 53394753) is (6-methoxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (6-methoxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (6-methoxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone is CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccc(OC)cc21.
What is the InChIKey of (6-methoxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone?
The InChIKey is LQWPINYSBSBWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-3-4-7-15-26-17-23(21-14-13-19(28-2)16-24(21)26)25(27)22-12-8-10-18-9-5-6-11-20(18)22/h5-6,8-14,16-17H,3-4,7,15H2,1-2H3.
What are the key properties of (6-methoxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone?
(6-methoxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone 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-methoxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 53394753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).