2a-[4-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one

C22H26N2O2 — CID 18377409

IUPAC2a-[4-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
SMILESO=C1Nc2cccc3c2C1(CCCCN1CCc2occc2C1)CCC3
InChIInChI=1S/C22H26N2O2/c25-21-22(11-4-6-16-5-3-7-18(23-21)20(16)22)10-1-2-12-24-13-8-19-17(15-24)9-14-26-19/h3,5,7,9,14H,1-2,4,6,8,10-13,15H2,(H,23,25)
InChIKeyHYPWGIMZDOLBLN-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.03
Rot. Bonds5

About 2a-[4-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one

2a-[4-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one (PubChem CID 18377409) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2a-[4-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one.

Molecular Properties

Compound Name2a-[4-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
PubChem CID18377409
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2a-[4-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
SMILESO=C1Nc2cccc3c2C1(CCCCN1CCc2occc2C1)CCC3
InChIInChI=1S/C22H26N2O2/c25-21-22(11-4-6-16-5-3-7-18(23-21)20(16)22)10-1-2-12-24-13-8-19-17(15-24)9-14-26-19/h3,5,7,9,14H,1-2,4,6,8,10-13,15H2,(H,23,25)
InChIKeyHYPWGIMZDOLBLN-UHFFFAOYSA-N
XLogP4.03
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2a-[4-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one?
The IUPAC name of 2a-[4-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one (CID 18377409) is 2a-[4-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one.
What is the SMILES notation for 2a-[4-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one?
The canonical SMILES for 2a-[4-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one is O=C1Nc2cccc3c2C1(CCCCN1CCc2occc2C1)CCC3.
What is the InChIKey of 2a-[4-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one?
The InChIKey is HYPWGIMZDOLBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-21-22(11-4-6-16-5-3-7-18(23-21)20(16)22)10-1-2-12-24-13-8-19-17(15-24)9-14-26-19/h3,5,7,9,14H,1-2,4,6,8,10-13,15H2,(H,23,25).
What are the key properties of 2a-[4-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one?
2a-[4-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one has a molecular weight of 350.46 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2a-[4-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one is sourced from PubChem (CID 18377409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).