N-(4-methoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine

C23H22N4O — CID 2034115

IUPACN-(4-methoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
SMILESCOc1ccc(Nc2c3c(nc4c(-c5ccccc5)c(C)nn24)CCC3)cc1
InChIInChI=1S/C23H22N4O/c1-15-21(16-7-4-3-5-8-16)23-25-20-10-6-9-19(20)22(27(23)26-15)24-17-11-13-18(28-2)14-12-17/h3-5,7-8,11-14,24H,6,9-10H2,1-2H3
InChIKeyJJAKFXXQFONXPO-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.95
Rot. Bonds4

About N-(4-methoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine

N-(4-methoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine (PubChem CID 2034115) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
PubChem CID2034115
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC NameN-(4-methoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
SMILESCOc1ccc(Nc2c3c(nc4c(-c5ccccc5)c(C)nn24)CCC3)cc1
InChIInChI=1S/C23H22N4O/c1-15-21(16-7-4-3-5-8-16)23-25-20-10-6-9-19(20)22(27(23)26-15)24-17-11-13-18(28-2)14-12-17/h3-5,7-8,11-14,24H,6,9-10H2,1-2H3
InChIKeyJJAKFXXQFONXPO-UHFFFAOYSA-N
XLogP4.95
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine (CID 2034115) is N-(4-methoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine is COc1ccc(Nc2c3c(nc4c(-c5ccccc5)c(C)nn24)CCC3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
The InChIKey is JJAKFXXQFONXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-15-21(16-7-4-3-5-8-16)23-25-20-10-6-9-19(20)22(27(23)26-15)24-17-11-13-18(28-2)14-12-17/h3-5,7-8,11-14,24H,6,9-10H2,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
N-(4-methoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine has a molecular weight of 370.46 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine is sourced from PubChem (CID 2034115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).