15-[4-(furan-2-yl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

C21H24N2O — CID 15149404

IUPAC15-[4-(furan-2-yl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESc1coc(CCCCN2C3CCC2c2c([nH]c4ccccc24)C3)c1
InChIInChI=1S/C21H24N2O/c1-2-9-18-17(8-1)21-19(22-18)14-15-10-11-20(21)23(15)12-4-3-6-16-7-5-13-24-16/h1-2,5,7-9,13,15,20,22H,3-4,6,10-12,14H2
InChIKeyBBNMJCHVYDPLHH-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.85
Rot. Bonds5

About 15-[4-(furan-2-yl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

15-[4-(furan-2-yl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (PubChem CID 15149404) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 15-[4-(furan-2-yl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name15-[4-(furan-2-yl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
PubChem CID15149404
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name15-[4-(furan-2-yl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESc1coc(CCCCN2C3CCC2c2c([nH]c4ccccc24)C3)c1
InChIInChI=1S/C21H24N2O/c1-2-9-18-17(8-1)21-19(22-18)14-15-10-11-20(21)23(15)12-4-3-6-16-7-5-13-24-16/h1-2,5,7-9,13,15,20,22H,3-4,6,10-12,14H2
InChIKeyBBNMJCHVYDPLHH-UHFFFAOYSA-N
XLogP4.85
TPSA32.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 15-[4-(furan-2-yl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 15-[4-(furan-2-yl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The IUPAC name of 15-[4-(furan-2-yl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (CID 15149404) is 15-[4-(furan-2-yl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.
What is the SMILES notation for 15-[4-(furan-2-yl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The canonical SMILES for 15-[4-(furan-2-yl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is c1coc(CCCCN2C3CCC2c2c([nH]c4ccccc24)C3)c1.
What is the InChIKey of 15-[4-(furan-2-yl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The InChIKey is BBNMJCHVYDPLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-2-9-18-17(8-1)21-19(22-18)14-15-10-11-20(21)23(15)12-4-3-6-16-7-5-13-24-16/h1-2,5,7-9,13,15,20,22H,3-4,6,10-12,14H2.
What are the key properties of 15-[4-(furan-2-yl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
15-[4-(furan-2-yl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene has a molecular weight of 320.44 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[4-(furan-2-yl)butyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 15149404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).