12-methyl-11,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,14-heptaen-13-one

C15H10N2O — CID 14688907

IUPAC12-methyl-11,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,14-heptaen-13-one
SMILESCn1nc2c(cc1=O)-c1cccc3cccc-2c13
InChIInChI=1S/C15H10N2O/c1-17-13(18)8-12-10-6-2-4-9-5-3-7-11(14(9)10)15(12)16-17/h2-8H,1H3
InChIKeyBVHLQDPJLUNFTO-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.58
Rot. Bonds

About 12-methyl-11,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,14-heptaen-13-one

12-methyl-11,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,14-heptaen-13-one (PubChem CID 14688907) has the molecular formula C15H10N2O and a molecular weight of 234.26 g/mol. Its IUPAC name is 12-methyl-11,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,14-heptaen-13-one.

Molecular Properties

Compound Name12-methyl-11,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,14-heptaen-13-one
PubChem CID14688907
Molecular FormulaC15H10N2O
Molecular Weight234.26 g/mol
Exact Mass234.08
IUPAC Name12-methyl-11,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,14-heptaen-13-one
SMILESCn1nc2c(cc1=O)-c1cccc3cccc-2c13
InChIInChI=1S/C15H10N2O/c1-17-13(18)8-12-10-6-2-4-9-5-3-7-11(14(9)10)15(12)16-17/h2-8H,1H3
InChIKeyBVHLQDPJLUNFTO-UHFFFAOYSA-N
XLogP2.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12-methyl-11,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,14-heptaen-13-one?
The IUPAC name of 12-methyl-11,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,14-heptaen-13-one (CID 14688907) is 12-methyl-11,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,14-heptaen-13-one.
What is the SMILES notation for 12-methyl-11,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,14-heptaen-13-one?
The canonical SMILES for 12-methyl-11,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,14-heptaen-13-one is Cn1nc2c(cc1=O)-c1cccc3cccc-2c13.
What is the InChIKey of 12-methyl-11,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,14-heptaen-13-one?
The InChIKey is BVHLQDPJLUNFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O/c1-17-13(18)8-12-10-6-2-4-9-5-3-7-11(14(9)10)15(12)16-17/h2-8H,1H3.
What are the key properties of 12-methyl-11,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,14-heptaen-13-one?
12-methyl-11,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,14-heptaen-13-one has a molecular weight of 234.26 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-11,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,14-heptaen-13-one is sourced from PubChem (CID 14688907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).