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

C23H21NO2 — CID 45271218

IUPAC(7-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone
SMILESCCCn1cc(C(=O)c2cccc3ccc(OC)cc23)c2ccccc21
InChIInChI=1S/C23H21NO2/c1-3-13-24-15-21(18-8-4-5-10-22(18)24)23(25)19-9-6-7-16-11-12-17(26-2)14-20(16)19/h4-12,14-15H,3,13H2,1-2H3
InChIKeyKYLIHRLLNONWLD-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.44
Rot. Bonds5

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

(7-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone (PubChem CID 45271218) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (7-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone.

Molecular Properties

Compound Name(7-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone
PubChem CID45271218
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name(7-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone
SMILESCCCn1cc(C(=O)c2cccc3ccc(OC)cc23)c2ccccc21
InChIInChI=1S/C23H21NO2/c1-3-13-24-15-21(18-8-4-5-10-22(18)24)23(25)19-9-6-7-16-11-12-17(26-2)14-20(16)19/h4-12,14-15H,3,13H2,1-2H3
InChIKeyKYLIHRLLNONWLD-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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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-propylindol-3-yl)methanone?
The IUPAC name of (7-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone (CID 45271218) is (7-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone.
What is the SMILES notation for (7-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone?
The canonical SMILES for (7-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone is CCCn1cc(C(=O)c2cccc3ccc(OC)cc23)c2ccccc21.
What is the InChIKey of (7-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone?
The InChIKey is KYLIHRLLNONWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-3-13-24-15-21(18-8-4-5-10-22(18)24)23(25)19-9-6-7-16-11-12-17(26-2)14-20(16)19/h4-12,14-15H,3,13H2,1-2H3.
What are the key properties of (7-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone?
(7-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 (7-methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone is sourced from PubChem (CID 45271218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).