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

C24H28N2O — CID 10092189

IUPAC3-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole
SMILESCOc1ccc(C2=CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C24H28N2O/c1-27-22-11-9-19(10-12-22)20-13-16-26(17-14-20)15-5-4-6-21-18-25-24-8-3-2-7-23(21)24/h2-3,7-13,18,25H,4-6,14-17H2,1H3
InChIKeyKKBZGGCJLOKSKV-UHFFFAOYSA-N
MW360.50 g/mol
LogP5.29
Rot. Bonds7

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

3-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole (PubChem CID 10092189) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 3-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole.

Molecular Properties

Compound Name3-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole
PubChem CID10092189
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name3-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole
SMILESCOc1ccc(C2=CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C24H28N2O/c1-27-22-11-9-19(10-12-22)20-13-16-26(17-14-20)15-5-4-6-21-18-25-24-8-3-2-7-23(21)24/h2-3,7-13,18,25H,4-6,14-17H2,1H3
InChIKeyKKBZGGCJLOKSKV-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 3-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole?
The IUPAC name of 3-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole (CID 10092189) is 3-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole.
What is the SMILES notation for 3-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole?
The canonical SMILES for 3-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole is COc1ccc(C2=CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 3-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole?
The InChIKey is KKBZGGCJLOKSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-27-22-11-9-19(10-12-22)20-13-16-26(17-14-20)15-5-4-6-21-18-25-24-8-3-2-7-23(21)24/h2-3,7-13,18,25H,4-6,14-17H2,1H3.
What are the key properties of 3-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole?
3-[4-[4-(4-methoxyphenyl)-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 3-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole is sourced from PubChem (CID 10092189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).