13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one

C16H12N2O — CID 14612598

IUPAC13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one
SMILESCc1c[nH]c(=O)c2c1[nH]c1ccc3ccccc3c12
InChIInChI=1S/C16H12N2O/c1-9-8-17-16(19)14-13-11-5-3-2-4-10(11)6-7-12(13)18-15(9)14/h2-8,18H,1H3,(H,17,19)
InChIKeyRNGPSODUEBWZRO-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.47
Rot. Bonds

About 13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one

13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one (PubChem CID 14612598) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one.

Molecular Properties

Compound Name13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one
PubChem CID14612598
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one
SMILESCc1c[nH]c(=O)c2c1[nH]c1ccc3ccccc3c12
InChIInChI=1S/C16H12N2O/c1-9-8-17-16(19)14-13-11-5-3-2-4-10(11)6-7-12(13)18-15(9)14/h2-8,18H,1H3,(H,17,19)
InChIKeyRNGPSODUEBWZRO-UHFFFAOYSA-N
XLogP3.47
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one?
The IUPAC name of 13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one (CID 14612598) is 13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one.
What is the SMILES notation for 13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one?
The canonical SMILES for 13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one is Cc1c[nH]c(=O)c2c1[nH]c1ccc3ccccc3c12.
What is the InChIKey of 13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one?
The InChIKey is RNGPSODUEBWZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c1-9-8-17-16(19)14-13-11-5-3-2-4-10(11)6-7-12(13)18-15(9)14/h2-8,18H,1H3,(H,17,19).
What are the key properties of 13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one?
13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one has a molecular weight of 248.29 g/mol, XLogP of 3.47, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one is sourced from PubChem (CID 14612598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).