7-[4-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole

C24H26N2O2 — CID 70044975

IUPAC7-[4-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole
SMILESC1=CC(c2ccccc2)CN(CCCCc2c[nH]c3cc4c(cc23)OCO4)C1
InChIInChI=1S/C24H26N2O2/c1-2-7-18(8-3-1)20-10-6-12-26(16-20)11-5-4-9-19-15-25-22-14-24-23(13-21(19)22)27-17-28-24/h1-3,6-8,10,13-15,20,25H,4-5,9,11-12,16-17H2
InChIKeySIJQMTUIORQBIE-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.87
Rot. Bonds6

About 7-[4-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole

7-[4-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole (PubChem CID 70044975) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 7-[4-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole.

Molecular Properties

Compound Name7-[4-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole
PubChem CID70044975
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name7-[4-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole
SMILESC1=CC(c2ccccc2)CN(CCCCc2c[nH]c3cc4c(cc23)OCO4)C1
InChIInChI=1S/C24H26N2O2/c1-2-7-18(8-3-1)20-10-6-12-26(16-20)11-5-4-9-19-15-25-22-14-24-23(13-21(19)22)27-17-28-24/h1-3,6-8,10,13-15,20,25H,4-5,9,11-12,16-17H2
InChIKeySIJQMTUIORQBIE-UHFFFAOYSA-N
XLogP4.87
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[4-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole with MolForge

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Related Compounds

3-[5-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]-1H-indole
CID 70045088
3-[4-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-6-ol
CID 70044138
3-[4-[3-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole
CID 70044157
3-[4-[3-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole-6-carboxamide
CID 67883158
3-[4-[3-(3,4-dimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole
CID 70044868
3-[4-[3-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 67883226
7-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole
CID 54353975
N-benzyl-N-[2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)ethyl]cyclopropanamine
CID 13140995
methyl 3-[4-[3-(hydroxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole-5-carboxylate
CID 174284025
3-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-5-methoxy-1H-indole
CID 22364696
7-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-5H-[1,3]dioxolo[4,5-f]indole
CID 21469370
3-[4-(4-phenylpiperidin-1-yl)butyl]-5-(trifluoromethyl)-1H-indole
CID 70542429

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole?
The IUPAC name of 7-[4-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole (CID 70044975) is 7-[4-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole.
What is the SMILES notation for 7-[4-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole?
The canonical SMILES for 7-[4-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole is C1=CC(c2ccccc2)CN(CCCCc2c[nH]c3cc4c(cc23)OCO4)C1.
What is the InChIKey of 7-[4-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole?
The InChIKey is SIJQMTUIORQBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-2-7-18(8-3-1)20-10-6-12-26(16-20)11-5-4-9-19-15-25-22-14-24-23(13-21(19)22)27-17-28-24/h1-3,6-8,10,13-15,20,25H,4-5,9,11-12,16-17H2.
What are the key properties of 7-[4-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole?
7-[4-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole has a molecular weight of 374.48 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole is sourced from PubChem (CID 70044975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).