2-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole

C24H28N2 — CID 70483326

IUPAC2-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
SMILESCc1cc2c(CCCCN3CC=C(c4ccccc4)CC3)cccc2[nH]1
InChIInChI=1S/C24H28N2/c1-19-18-23-22(11-7-12-24(23)25-19)10-5-6-15-26-16-13-21(14-17-26)20-8-3-2-4-9-20/h2-4,7-9,11-13,18,25H,5-6,10,14-17H2,1H3
InChIKeyHJZDKYXUBIAIFD-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.59
Rot. Bonds6

About 2-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole

2-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole (PubChem CID 70483326) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole.

Molecular Properties

Compound Name2-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
PubChem CID70483326
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name2-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
SMILESCc1cc2c(CCCCN3CC=C(c4ccccc4)CC3)cccc2[nH]1
InChIInChI=1S/C24H28N2/c1-19-18-23-22(11-7-12-24(23)25-19)10-5-6-15-26-16-13-21(14-17-26)20-8-3-2-4-9-20/h2-4,7-9,11-13,18,25H,5-6,10,14-17H2,1H3
InChIKeyHJZDKYXUBIAIFD-UHFFFAOYSA-N
XLogP5.59
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole;hydrochloride
CID 10475148
3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride
CID 10089396
6-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
CID 70483148
2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-5H-phenanthridin-6-one
CID 10150882
1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride
CID 3031486
3-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole;hydrochloride
CID 10386307
5-chloro-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
CID 70483108
[3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-yl] N-(2-hydroxyethyl)carbamate
CID 70364403
1-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine
CID 15942778
5-methoxy-1-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]indole
CID 70484601
N-[4-hydroxy-2-oxo-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-quinolin-6-yl]ethanesulfonamide
CID 54734223
8-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one
CID 135531195

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole?
The IUPAC name of 2-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole (CID 70483326) is 2-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole.
What is the SMILES notation for 2-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole?
The canonical SMILES for 2-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole is Cc1cc2c(CCCCN3CC=C(c4ccccc4)CC3)cccc2[nH]1.
What is the InChIKey of 2-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole?
The InChIKey is HJZDKYXUBIAIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-19-18-23-22(11-7-12-24(23)25-19)10-5-6-15-26-16-13-21(14-17-26)20-8-3-2-4-9-20/h2-4,7-9,11-13,18,25H,5-6,10,14-17H2,1H3.
What are the key properties of 2-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole?
2-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole has a molecular weight of 344.50 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole is sourced from PubChem (CID 70483326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).