(6-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone

C23H21NO2 — CID 11313905

IUPAC(6-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone
SMILESCCCn1cc(C(=O)c2cccc3cc(OC)ccc23)c2ccccc21
InChIInChI=1S/C23H21NO2/c1-3-13-24-15-21(19-8-4-5-10-22(19)24)23(25)20-9-6-7-16-14-17(26-2)11-12-18(16)20/h4-12,14-15H,3,13H2,1-2H3
InChIKeySOZFXCFTBZKTKE-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.44
Rot. Bonds5

About (6-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone

(6-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone (PubChem CID 11313905) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (6-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone.

Molecular Properties

Compound Name(6-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone
PubChem CID11313905
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name(6-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone
SMILESCCCn1cc(C(=O)c2cccc3cc(OC)ccc23)c2ccccc21
InChIInChI=1S/C23H21NO2/c1-3-13-24-15-21(19-8-4-5-10-22(19)24)23(25)20-9-6-7-16-14-17(26-2)11-12-18(16)20/h4-12,14-15H,3,13H2,1-2H3
InChIKeySOZFXCFTBZKTKE-UHFFFAOYSA-N
XLogP5.44
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone?
The IUPAC name of (6-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone (CID 11313905) is (6-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone.
What is the SMILES notation for (6-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone?
The canonical SMILES for (6-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone is CCCn1cc(C(=O)c2cccc3cc(OC)ccc23)c2ccccc21.
What is the InChIKey of (6-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone?
The InChIKey is SOZFXCFTBZKTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-3-13-24-15-21(19-8-4-5-10-22(19)24)23(25)20-9-6-7-16-14-17(26-2)11-12-18(16)20/h4-12,14-15H,3,13H2,1-2H3.
What are the key properties of (6-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone?
(6-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone has a molecular weight of 343.43 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone is sourced from PubChem (CID 11313905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).