15-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene

C25H30N4O2 — CID 110215264

IUPAC15-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene
SMILESC=CCc1cc(CN2C3CCC2c2cnc4cc(C)nn4c2C3)cc(OC)c1OCC
InChIInChI=1S/C25H30N4O2/c1-5-7-18-11-17(12-23(30-4)25(18)31-6-2)15-28-19-8-9-21(28)20-14-26-24-10-16(3)27-29(24)22(20)13-19/h5,10-12,14,19,21H,1,6-9,13,15H2,2-4H3
InChIKeyLHNFPUSDUVHYRS-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.44
Rot. Bonds7

About 15-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene

15-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene (PubChem CID 110215264) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 15-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name15-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene
PubChem CID110215264
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name15-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene
SMILESC=CCc1cc(CN2C3CCC2c2cnc4cc(C)nn4c2C3)cc(OC)c1OCC
InChIInChI=1S/C25H30N4O2/c1-5-7-18-11-17(12-23(30-4)25(18)31-6-2)15-28-19-8-9-21(28)20-14-26-24-10-16(3)27-29(24)22(20)13-19/h5,10-12,14,19,21H,1,6-9,13,15H2,2-4H3
InChIKeyLHNFPUSDUVHYRS-UHFFFAOYSA-N
XLogP4.44
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 15-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]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-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene?
The IUPAC name of 15-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene (CID 110215264) is 15-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-7-methyl-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-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene?
The canonical SMILES for 15-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene is C=CCc1cc(CN2C3CCC2c2cnc4cc(C)nn4c2C3)cc(OC)c1OCC.
What is the InChIKey of 15-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene?
The InChIKey is LHNFPUSDUVHYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-5-7-18-11-17(12-23(30-4)25(18)31-6-2)15-28-19-8-9-21(28)20-14-26-24-10-16(3)27-29(24)22(20)13-19/h5,10-12,14,19,21H,1,6-9,13,15H2,2-4H3.
What are the key properties of 15-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene?
15-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene has a molecular weight of 418.54 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 110215264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).