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

C25H25NO2 — CID 11268746

IUPAC(2-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2c(OC)ccc3ccccc23)c2ccccc21
InChIInChI=1S/C25H25NO2/c1-3-4-9-16-26-17-21(20-12-7-8-13-22(20)26)25(27)24-19-11-6-5-10-18(19)14-15-23(24)28-2/h5-8,10-15,17H,3-4,9,16H2,1-2H3
InChIKeyBWBLGFVKOJDYSU-UHFFFAOYSA-N
MW371.48 g/mol
LogP6.22
Rot. Bonds7

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

(2-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone (PubChem CID 11268746) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (2-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone.

Molecular Properties

Compound Name(2-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
PubChem CID11268746
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name(2-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2c(OC)ccc3ccccc23)c2ccccc21
InChIInChI=1S/C25H25NO2/c1-3-4-9-16-26-17-21(20-12-7-8-13-22(20)26)25(27)24-19-11-6-5-10-18(19)14-15-23(24)28-2/h5-8,10-15,17H,3-4,9,16H2,1-2H3
InChIKeyBWBLGFVKOJDYSU-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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Related Compounds

(2-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone
CID 11152088
(4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 45267043
(8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71463154
3-(1-naphthalen-1-ylethenyl)-1-pentylindole
CID 144557582
(4-methylphenyl)-(1-pentylindol-3-yl)methanone
CID 170857148
(8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71454234
ethane;3-(1-naphthalen-1-ylethenyl)-1-pentylindole
CID 144557581
isoquinolin-4-yl 1-pentylindole-3-carboxylate
CID 124518753
(1-decylindol-3-yl)-(4-iodophenyl)methanone
CID 170857204
1-butyl-3-(4-methoxybenzoyl)quinolin-4-one
CID 23634666
(1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone
CID 159355298
2-(1-dodecylindol-3-yl)-2-oxoacetamide
CID 174644392

Frequently Asked Questions

What is the IUPAC name of (2-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The IUPAC name of (2-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone (CID 11268746) is (2-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone.
What is the SMILES notation for (2-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The canonical SMILES for (2-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone is CCCCCn1cc(C(=O)c2c(OC)ccc3ccccc23)c2ccccc21.
What is the InChIKey of (2-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The InChIKey is BWBLGFVKOJDYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-3-4-9-16-26-17-21(20-12-7-8-13-22(20)26)25(27)24-19-11-6-5-10-18(19)14-15-23(24)28-2/h5-8,10-15,17H,3-4,9,16H2,1-2H3.
What are the key properties of (2-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
(2-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 (2-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone is sourced from PubChem (CID 11268746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).