(4-methylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone

C24H23NO — CID 45267819

IUPAC(4-methylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
SMILESCCCn1c(C)c(C(=O)c2ccc(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C24H23NO/c1-4-15-25-17(3)23(21-11-7-8-12-22(21)25)24(26)20-14-13-16(2)18-9-5-6-10-19(18)20/h5-14H,4,15H2,1-3H3
InChIKeyWRIOMNWYCFMMEY-UHFFFAOYSA-N
MW341.45 g/mol
LogP6.05
Rot. Bonds4

About (4-methylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone

(4-methylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone (PubChem CID 45267819) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is (4-methylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-methylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
PubChem CID45267819
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name(4-methylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
SMILESCCCn1c(C)c(C(=O)c2ccc(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C24H23NO/c1-4-15-25-17(3)23(21-11-7-8-12-22(21)25)24(26)20-14-13-16(2)18-9-5-6-10-19(18)20/h5-14H,4,15H2,1-3H3
InChIKeyWRIOMNWYCFMMEY-UHFFFAOYSA-N
XLogP6.05
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone
CID 45272121
(7-methylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
CID 11473309
(2-methyl-1-undecylindol-3-yl)-phenylmethanone
CID 70525759
(1-butylindazol-3-yl)-(4-methylnaphthalen-1-yl)methanone
CID 170857562
(1-ethyl-2-methylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone
CID 53357390
(4-methylnaphthalen-1-yl)-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)methanone
CID 66764509
(2-methyl-1-propylindol-3-yl)methanol
CID 91556176
1-(2-chloro-1-propylindol-3-yl)ethanone
CID 82268364
ethyl (2-methyl-1-propylindol-3-yl) carbonate
CID 91188926
[2-methyl-1-(7-propoxyheptyl)indol-3-yl]-phenylmethanone
CID 70527772
(2-chloro-6H-thieno[2,3-b]pyrrol-5-yl)-(2-methyl-1-propylindol-3-yl)methanone
CID 53357258
[1-(2-hydroxypentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
CID 165361507

Frequently Asked Questions

What is the IUPAC name of (4-methylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone?
The IUPAC name of (4-methylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone (CID 45267819) is (4-methylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone.
What is the SMILES notation for (4-methylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone?
The canonical SMILES for (4-methylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone is CCCn1c(C)c(C(=O)c2ccc(C)c3ccccc23)c2ccccc21.
What is the InChIKey of (4-methylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone?
The InChIKey is WRIOMNWYCFMMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO/c1-4-15-25-17(3)23(21-11-7-8-12-22(21)25)24(26)20-14-13-16(2)18-9-5-6-10-19(18)20/h5-14H,4,15H2,1-3H3.
What are the key properties of (4-methylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone?
(4-methylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone has a molecular weight of 341.45 g/mol, XLogP of 6.05, 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)-(2-methyl-1-propylindol-3-yl)methanone is sourced from PubChem (CID 45267819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).