15-(furan-3-ylmethyl)-7-(3-methylphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene

C23H22N4O — CID 110215048

IUPAC15-(furan-3-ylmethyl)-7-(3-methylphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene
SMILESCc1cccc(-c2cc3ncc4c(n3n2)CC2CCC4N2Cc2ccoc2)c1
InChIInChI=1S/C23H22N4O/c1-15-3-2-4-17(9-15)20-11-23-24-12-19-21-6-5-18(10-22(19)27(23)25-20)26(21)13-16-7-8-28-14-16/h2-4,7-9,11-12,14,18,21H,5-6,10,13H2,1H3
InChIKeyDAIVFVWRPKSNGP-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.56
Rot. Bonds3

About 15-(furan-3-ylmethyl)-7-(3-methylphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene

15-(furan-3-ylmethyl)-7-(3-methylphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene (PubChem CID 110215048) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 15-(furan-3-ylmethyl)-7-(3-methylphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name15-(furan-3-ylmethyl)-7-(3-methylphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene
PubChem CID110215048
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name15-(furan-3-ylmethyl)-7-(3-methylphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene
SMILESCc1cccc(-c2cc3ncc4c(n3n2)CC2CCC4N2Cc2ccoc2)c1
InChIInChI=1S/C23H22N4O/c1-15-3-2-4-17(9-15)20-11-23-24-12-19-21-6-5-18(10-22(19)27(23)25-20)26(21)13-16-7-8-28-14-16/h2-4,7-9,11-12,14,18,21H,5-6,10,13H2,1H3
InChIKeyDAIVFVWRPKSNGP-UHFFFAOYSA-N
XLogP4.56
TPSA46.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-(furan-3-ylmethyl)-7-(3-methylphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-(furan-3-ylmethyl)-7-(3-methylphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene?
The IUPAC name of 15-(furan-3-ylmethyl)-7-(3-methylphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene (CID 110215048) is 15-(furan-3-ylmethyl)-7-(3-methylphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene.
What is the SMILES notation for 15-(furan-3-ylmethyl)-7-(3-methylphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene?
The canonical SMILES for 15-(furan-3-ylmethyl)-7-(3-methylphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene is Cc1cccc(-c2cc3ncc4c(n3n2)CC2CCC4N2Cc2ccoc2)c1.
What is the InChIKey of 15-(furan-3-ylmethyl)-7-(3-methylphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene?
The InChIKey is DAIVFVWRPKSNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-15-3-2-4-17(9-15)20-11-23-24-12-19-21-6-5-18(10-22(19)27(23)25-20)26(21)13-16-7-8-28-14-16/h2-4,7-9,11-12,14,18,21H,5-6,10,13H2,1H3.
What are the key properties of 15-(furan-3-ylmethyl)-7-(3-methylphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene?
15-(furan-3-ylmethyl)-7-(3-methylphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene has a molecular weight of 370.46 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(furan-3-ylmethyl)-7-(3-methylphenyl)-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 110215048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).