12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,12,15-heptaene

C19H14N4 — CID 71652871

IUPAC12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,12,15-heptaene
SMILESCc1nn(-c2ccccc2)c2nc3c(nc12)Cc1ccccc1-3
InChIInChI=1S/C19H14N4/c1-12-17-19(23(22-12)14-8-3-2-4-9-14)21-18-15-10-6-5-7-13(15)11-16(18)20-17/h2-10H,11H2,1H3
InChIKeyVHJXQYVONIWBFO-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.70
Rot. Bonds1

About 12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,12,15-heptaene

12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,12,15-heptaene (PubChem CID 71652871) has the molecular formula C19H14N4 and a molecular weight of 298.35 g/mol. Its IUPAC name is 12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,12,15-heptaene.

Molecular Properties

Compound Name12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,12,15-heptaene
PubChem CID71652871
Molecular FormulaC19H14N4
Molecular Weight298.35 g/mol
Exact Mass298.12
IUPAC Name12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,12,15-heptaene
SMILESCc1nn(-c2ccccc2)c2nc3c(nc12)Cc1ccccc1-3
InChIInChI=1S/C19H14N4/c1-12-17-19(23(22-12)14-8-3-2-4-9-14)21-18-15-10-6-5-7-13(15)11-16(18)20-17/h2-10H,11H2,1H3
InChIKeyVHJXQYVONIWBFO-UHFFFAOYSA-N
XLogP3.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,12,15-heptaene?
The IUPAC name of 12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,12,15-heptaene (CID 71652871) is 12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,12,15-heptaene.
What is the SMILES notation for 12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,12,15-heptaene?
The canonical SMILES for 12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,12,15-heptaene is Cc1nn(-c2ccccc2)c2nc3c(nc12)Cc1ccccc1-3.
What is the InChIKey of 12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,12,15-heptaene?
The InChIKey is VHJXQYVONIWBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4/c1-12-17-19(23(22-12)14-8-3-2-4-9-14)21-18-15-10-6-5-7-13(15)11-16(18)20-17/h2-10H,11H2,1H3.
What are the key properties of 12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,12,15-heptaene?
12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,12,15-heptaene has a molecular weight of 298.35 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,12,15-heptaene is sourced from PubChem (CID 71652871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).