(4-methylnaphthalen-1-yl)-(1-propylindol-3-yl)methanone

C23H21NO — CID 11461586

IUPAC(4-methylnaphthalen-1-yl)-(1-propylindol-3-yl)methanone
SMILESCCCn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C23H21NO/c1-3-14-24-15-21(19-10-6-7-11-22(19)24)23(25)20-13-12-16(2)17-8-4-5-9-18(17)20/h4-13,15H,3,14H2,1-2H3
InChIKeyDUBUGSKBMMXSOU-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.74
Rot. Bonds4

About (4-methylnaphthalen-1-yl)-(1-propylindol-3-yl)methanone

(4-methylnaphthalen-1-yl)-(1-propylindol-3-yl)methanone (PubChem CID 11461586) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is (4-methylnaphthalen-1-yl)-(1-propylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-methylnaphthalen-1-yl)-(1-propylindol-3-yl)methanone
PubChem CID11461586
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name(4-methylnaphthalen-1-yl)-(1-propylindol-3-yl)methanone
SMILESCCCn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C23H21NO/c1-3-14-24-15-21(19-10-6-7-11-22(19)24)23(25)20-13-12-16(2)17-8-4-5-9-18(17)20/h4-13,15H,3,14H2,1-2H3
InChIKeyDUBUGSKBMMXSOU-UHFFFAOYSA-N
XLogP5.74
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Jwh 018
CID 10382701
(1-Butyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 10471670
Jwh 122
CID 44466638
Jwh-200
CID 10045570
Xlr 11
CID 57501498
Jwh 015
CID 4273754
(4-Ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 45270396
AM 2201
CID 53393997
(1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 44626619
AM-694
CID 9889172
Jwh 307
CID 16049783
Jwh 203
CID 44397500

Frequently Asked Questions

What is the IUPAC name of (4-methylnaphthalen-1-yl)-(1-propylindol-3-yl)methanone?
The IUPAC name of (4-methylnaphthalen-1-yl)-(1-propylindol-3-yl)methanone (CID 11461586) is (4-methylnaphthalen-1-yl)-(1-propylindol-3-yl)methanone.
What is the SMILES notation for (4-methylnaphthalen-1-yl)-(1-propylindol-3-yl)methanone?
The canonical SMILES for (4-methylnaphthalen-1-yl)-(1-propylindol-3-yl)methanone is CCCn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccccc21.
What is the InChIKey of (4-methylnaphthalen-1-yl)-(1-propylindol-3-yl)methanone?
The InChIKey is DUBUGSKBMMXSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-3-14-24-15-21(19-10-6-7-11-22(19)24)23(25)20-13-12-16(2)17-8-4-5-9-18(17)20/h4-13,15H,3,14H2,1-2H3.
What are the key properties of (4-methylnaphthalen-1-yl)-(1-propylindol-3-yl)methanone?
(4-methylnaphthalen-1-yl)-(1-propylindol-3-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylnaphthalen-1-yl)-(1-propylindol-3-yl)methanone is sourced from PubChem (CID 11461586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).