N-ethyl-10-(4-methoxy-2-methylphenyl)-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine

C23H30N4O — CID 70842639

IUPACN-ethyl-10-(4-methoxy-2-methylphenyl)-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
SMILESCCCN(CC)c1c2c(nc3c(-c4ccc(OC)cc4C)c(C)nn13)CCC2
InChIInChI=1S/C23H30N4O/c1-6-13-26(7-2)23-19-9-8-10-20(19)24-22-21(16(4)25-27(22)23)18-12-11-17(28-5)14-15(18)3/h11-12,14H,6-10,13H2,1-5H3
InChIKeyNCQXGMIMDJXQLH-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.75
Rot. Bonds6

About N-ethyl-10-(4-methoxy-2-methylphenyl)-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine

N-ethyl-10-(4-methoxy-2-methylphenyl)-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine (PubChem CID 70842639) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-ethyl-10-(4-methoxy-2-methylphenyl)-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine.

Molecular Properties

Compound NameN-ethyl-10-(4-methoxy-2-methylphenyl)-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
PubChem CID70842639
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-ethyl-10-(4-methoxy-2-methylphenyl)-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
SMILESCCCN(CC)c1c2c(nc3c(-c4ccc(OC)cc4C)c(C)nn13)CCC2
InChIInChI=1S/C23H30N4O/c1-6-13-26(7-2)23-19-9-8-10-20(19)24-22-21(16(4)25-27(22)23)18-12-11-17(28-5)14-15(18)3/h11-12,14H,6-10,13H2,1-5H3
InChIKeyNCQXGMIMDJXQLH-UHFFFAOYSA-N
XLogP4.75
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-10-(4-methoxy-2-methylphenyl)-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-10-(4-methoxy-2-methylphenyl)-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
The IUPAC name of N-ethyl-10-(4-methoxy-2-methylphenyl)-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine (CID 70842639) is N-ethyl-10-(4-methoxy-2-methylphenyl)-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine.
What is the SMILES notation for N-ethyl-10-(4-methoxy-2-methylphenyl)-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
The canonical SMILES for N-ethyl-10-(4-methoxy-2-methylphenyl)-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine is CCCN(CC)c1c2c(nc3c(-c4ccc(OC)cc4C)c(C)nn13)CCC2.
What is the InChIKey of N-ethyl-10-(4-methoxy-2-methylphenyl)-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
The InChIKey is NCQXGMIMDJXQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-6-13-26(7-2)23-19-9-8-10-20(19)24-22-21(16(4)25-27(22)23)18-12-11-17(28-5)14-15(18)3/h11-12,14H,6-10,13H2,1-5H3.
What are the key properties of N-ethyl-10-(4-methoxy-2-methylphenyl)-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?
N-ethyl-10-(4-methoxy-2-methylphenyl)-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine has a molecular weight of 378.52 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-10-(4-methoxy-2-methylphenyl)-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine is sourced from PubChem (CID 70842639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).