10,10-dimethyl-8-phenyl-11,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraen-12-one

C21H20N2O — CID 175851298

IUPAC10,10-dimethyl-8-phenyl-11,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraen-12-one
SMILESCC1(C)C2=C(c3ccccc3)c3ccccc3C2N2CCC(=O)N21
InChIInChI=1S/C21H20N2O/c1-21(2)19-18(14-8-4-3-5-9-14)15-10-6-7-11-16(15)20(19)22-13-12-17(24)23(21)22/h3-11,20H,12-13H2,1-2H3
InChIKeyAGWVBWRVRBTCTK-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.78
Rot. Bonds1

About 10,10-dimethyl-8-phenyl-11,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraen-12-one

10,10-dimethyl-8-phenyl-11,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraen-12-one (PubChem CID 175851298) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 10,10-dimethyl-8-phenyl-11,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraen-12-one.

Molecular Properties

Compound Name10,10-dimethyl-8-phenyl-11,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraen-12-one
PubChem CID175851298
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name10,10-dimethyl-8-phenyl-11,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraen-12-one
SMILESCC1(C)C2=C(c3ccccc3)c3ccccc3C2N2CCC(=O)N21
InChIInChI=1S/C21H20N2O/c1-21(2)19-18(14-8-4-3-5-9-14)15-10-6-7-11-16(15)20(19)22-13-12-17(24)23(21)22/h3-11,20H,12-13H2,1-2H3
InChIKeyAGWVBWRVRBTCTK-UHFFFAOYSA-N
XLogP3.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-8-phenyl-11,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraen-12-one?
The IUPAC name of 10,10-dimethyl-8-phenyl-11,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraen-12-one (CID 175851298) is 10,10-dimethyl-8-phenyl-11,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraen-12-one.
What is the SMILES notation for 10,10-dimethyl-8-phenyl-11,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraen-12-one?
The canonical SMILES for 10,10-dimethyl-8-phenyl-11,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraen-12-one is CC1(C)C2=C(c3ccccc3)c3ccccc3C2N2CCC(=O)N21.
What is the InChIKey of 10,10-dimethyl-8-phenyl-11,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraen-12-one?
The InChIKey is AGWVBWRVRBTCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-21(2)19-18(14-8-4-3-5-9-14)15-10-6-7-11-16(15)20(19)22-13-12-17(24)23(21)22/h3-11,20H,12-13H2,1-2H3.
What are the key properties of 10,10-dimethyl-8-phenyl-11,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraen-12-one?
10,10-dimethyl-8-phenyl-11,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraen-12-one has a molecular weight of 316.40 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-8-phenyl-11,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraen-12-one is sourced from PubChem (CID 175851298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).