1-butyl-2-methyl-7-(2-methyl-3-pyridinyl)-3-propylindole

C22H28N2 — CID 123802736

IUPAC1-butyl-2-methyl-7-(2-methyl-3-pyridinyl)-3-propylindole
SMILESCCCCn1c(C)c(CCC)c2cccc(-c3cccnc3C)c21
InChIInChI=1S/C22H28N2/c1-5-7-15-24-17(4)19(10-6-2)21-12-8-11-20(22(21)24)18-13-9-14-23-16(18)3/h8-9,11-14H,5-7,10,15H2,1-4H3
InChIKeyCVTMFOOOLMISIJ-UHFFFAOYSA-N
MW320.48 g/mol
LogP6.07
Rot. Bonds6

About 1-butyl-2-methyl-7-(2-methyl-3-pyridinyl)-3-propylindole

1-butyl-2-methyl-7-(2-methyl-3-pyridinyl)-3-propylindole (PubChem CID 123802736) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-butyl-2-methyl-7-(2-methyl-3-pyridinyl)-3-propylindole.

Molecular Properties

Compound Name1-butyl-2-methyl-7-(2-methyl-3-pyridinyl)-3-propylindole
PubChem CID123802736
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name1-butyl-2-methyl-7-(2-methyl-3-pyridinyl)-3-propylindole
SMILESCCCCn1c(C)c(CCC)c2cccc(-c3cccnc3C)c21
InChIInChI=1S/C22H28N2/c1-5-7-15-24-17(4)19(10-6-2)21-12-8-11-20(22(21)24)18-13-9-14-23-16(18)3/h8-9,11-14H,5-7,10,15H2,1-4H3
InChIKeyCVTMFOOOLMISIJ-UHFFFAOYSA-N
XLogP6.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminopropyl)-3-butyl-2-methylindole-7-carboxylic acid
CID 83963670
1-butyl-2-methyl-1,8-naphthyridin-4-one
CID 150875994
2-(1-butyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)acetic acid
CID 82250902
2-methyl-3-propylpyridine
CID 18662893
2,4-dimethyl-3-propylpyridine
CID 14197863
1-butyl-6-methoxy-2,3-dipropylpyrrolo[3,2-c]quinoline
CID 11056884
1,2-dimethyl-3-propylindole-7-carboxylic acid
CID 83963608
1-butyl-2,3-dimethylindole-7-carboxylic acid
CID 83963647
3-butyl-1-hexyl-4-hydroxy-1,8-naphthyridin-2-one
CID 54734724
4-[3-(2,7-dimethyl-1-propylindol-3-yl)propyl]morpholine
CID 170871034
3-heptyl-2-methylpyridine
CID 134369519
3-butyl-2-thiophen-2-ylimidazo[4,5-f][1,10]phenanthroline
CID 139199572

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methyl-7-(2-methyl-3-pyridinyl)-3-propylindole?
The IUPAC name of 1-butyl-2-methyl-7-(2-methyl-3-pyridinyl)-3-propylindole (CID 123802736) is 1-butyl-2-methyl-7-(2-methyl-3-pyridinyl)-3-propylindole.
What is the SMILES notation for 1-butyl-2-methyl-7-(2-methyl-3-pyridinyl)-3-propylindole?
The canonical SMILES for 1-butyl-2-methyl-7-(2-methyl-3-pyridinyl)-3-propylindole is CCCCn1c(C)c(CCC)c2cccc(-c3cccnc3C)c21.
What is the InChIKey of 1-butyl-2-methyl-7-(2-methyl-3-pyridinyl)-3-propylindole?
The InChIKey is CVTMFOOOLMISIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2/c1-5-7-15-24-17(4)19(10-6-2)21-12-8-11-20(22(21)24)18-13-9-14-23-16(18)3/h8-9,11-14H,5-7,10,15H2,1-4H3.
What are the key properties of 1-butyl-2-methyl-7-(2-methyl-3-pyridinyl)-3-propylindole?
1-butyl-2-methyl-7-(2-methyl-3-pyridinyl)-3-propylindole has a molecular weight of 320.48 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methyl-7-(2-methyl-3-pyridinyl)-3-propylindole is sourced from PubChem (CID 123802736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).