8-(cyclopropylmethyl)-15-methyl-8,12,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,14(17)-hexaen-13-one

C19H19N3O — CID 78321451

IUPAC8-(cyclopropylmethyl)-15-methyl-8,12,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,14(17)-hexaen-13-one
SMILESCn1cc2c3c(c[nH]c(=O)c31)CN(CC1CC1)c1ccccc1-2
InChIInChI=1S/C19H19N3O/c1-21-11-15-14-4-2-3-5-16(14)22(9-12-6-7-12)10-13-8-20-19(23)18(21)17(13)15/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,20,23)
InChIKeyIYFBWGHWDOGHMR-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.26
Rot. Bonds2

About 8-(cyclopropylmethyl)-15-methyl-8,12,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,14(17)-hexaen-13-one

8-(cyclopropylmethyl)-15-methyl-8,12,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,14(17)-hexaen-13-one (PubChem CID 78321451) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-15-methyl-8,12,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,14(17)-hexaen-13-one.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-15-methyl-8,12,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,14(17)-hexaen-13-one
PubChem CID78321451
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name8-(cyclopropylmethyl)-15-methyl-8,12,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,14(17)-hexaen-13-one
SMILESCn1cc2c3c(c[nH]c(=O)c31)CN(CC1CC1)c1ccccc1-2
InChIInChI=1S/C19H19N3O/c1-21-11-15-14-4-2-3-5-16(14)22(9-12-6-7-12)10-13-8-20-19(23)18(21)17(13)15/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,20,23)
InChIKeyIYFBWGHWDOGHMR-UHFFFAOYSA-N
XLogP3.26
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(cyclopropylmethyl)-15-methyl-8,12,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,14(17)-hexaen-13-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-15-methyl-8,12,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,14(17)-hexaen-13-one?
The IUPAC name of 8-(cyclopropylmethyl)-15-methyl-8,12,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,14(17)-hexaen-13-one (CID 78321451) is 8-(cyclopropylmethyl)-15-methyl-8,12,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,14(17)-hexaen-13-one.
What is the SMILES notation for 8-(cyclopropylmethyl)-15-methyl-8,12,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,14(17)-hexaen-13-one?
The canonical SMILES for 8-(cyclopropylmethyl)-15-methyl-8,12,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,14(17)-hexaen-13-one is Cn1cc2c3c(c[nH]c(=O)c31)CN(CC1CC1)c1ccccc1-2.
What is the InChIKey of 8-(cyclopropylmethyl)-15-methyl-8,12,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,14(17)-hexaen-13-one?
The InChIKey is IYFBWGHWDOGHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-21-11-15-14-4-2-3-5-16(14)22(9-12-6-7-12)10-13-8-20-19(23)18(21)17(13)15/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,20,23).
What are the key properties of 8-(cyclopropylmethyl)-15-methyl-8,12,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,14(17)-hexaen-13-one?
8-(cyclopropylmethyl)-15-methyl-8,12,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,14(17)-hexaen-13-one has a molecular weight of 305.38 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-15-methyl-8,12,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2,4,6,10,14(17)-hexaen-13-one is sourced from PubChem (CID 78321451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).