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

C24H28N2O — CID 10475895

IUPAC6-methoxy-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
SMILESCOc1ccc2c(CCCCN3CC=C(c4ccccc4)CC3)c[nH]c2c1
InChIInChI=1S/C24H28N2O/c1-27-22-10-11-23-21(18-25-24(23)17-22)9-5-6-14-26-15-12-20(13-16-26)19-7-3-2-4-8-19/h2-4,7-8,10-12,17-18,25H,5-6,9,13-16H2,1H3
InChIKeyPUZDYVQNYUCMKE-UHFFFAOYSA-N
MW360.50 g/mol
LogP5.29
Rot. Bonds7

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

6-methoxy-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole (PubChem CID 10475895) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 6-methoxy-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole.

Molecular Properties

Compound Name6-methoxy-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
PubChem CID10475895
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name6-methoxy-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
SMILESCOc1ccc2c(CCCCN3CC=C(c4ccccc4)CC3)c[nH]c2c1
InChIInChI=1S/C24H28N2O/c1-27-22-10-11-23-21(18-25-24(23)17-22)9-5-6-14-26-15-12-20(13-16-26)19-7-3-2-4-8-19/h2-4,7-8,10-12,17-18,25H,5-6,9,13-16H2,1H3
InChIKeyPUZDYVQNYUCMKE-UHFFFAOYSA-N
XLogP5.29
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole?
The IUPAC name of 6-methoxy-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole (CID 10475895) is 6-methoxy-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole.
What is the SMILES notation for 6-methoxy-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole?
The canonical SMILES for 6-methoxy-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole is COc1ccc2c(CCCCN3CC=C(c4ccccc4)CC3)c[nH]c2c1.
What is the InChIKey of 6-methoxy-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole?
The InChIKey is PUZDYVQNYUCMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-27-22-10-11-23-21(18-25-24(23)17-22)9-5-6-14-26-15-12-20(13-16-26)19-7-3-2-4-8-19/h2-4,7-8,10-12,17-18,25H,5-6,9,13-16H2,1H3.
What are the key properties of 6-methoxy-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole?
6-methoxy-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole has a molecular weight of 360.50 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole is sourced from PubChem (CID 10475895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).