15,17-dimethyl-4,11-diazatetracyclo[12.2.2.14,11.05,10]nonadeca-1(16),5,7,9,14,17-hexaen-19-one

C19H20N2O — CID 11460562

IUPAC15,17-dimethyl-4,11-diazatetracyclo[12.2.2.14,11.05,10]nonadeca-1(16),5,7,9,14,17-hexaen-19-one
SMILESCc1cc2c(C)cc1CCn1c(=O)n(c3ccccc31)CC2
InChIInChI=1S/C19H20N2O/c1-13-11-16-8-10-21-18-6-4-3-5-17(18)20(19(21)22)9-7-15(13)12-14(16)2/h3-6,11-12H,7-10H2,1-2H3
InChIKeyPGRKKKBAAFOGFB-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.22
Rot. Bonds

About 15,17-dimethyl-4,11-diazatetracyclo[12.2.2.14,11.05,10]nonadeca-1(16),5,7,9,14,17-hexaen-19-one

15,17-dimethyl-4,11-diazatetracyclo[12.2.2.14,11.05,10]nonadeca-1(16),5,7,9,14,17-hexaen-19-one (PubChem CID 11460562) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 15,17-dimethyl-4,11-diazatetracyclo[12.2.2.14,11.05,10]nonadeca-1(16),5,7,9,14,17-hexaen-19-one.

Molecular Properties

Compound Name15,17-dimethyl-4,11-diazatetracyclo[12.2.2.14,11.05,10]nonadeca-1(16),5,7,9,14,17-hexaen-19-one
PubChem CID11460562
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name15,17-dimethyl-4,11-diazatetracyclo[12.2.2.14,11.05,10]nonadeca-1(16),5,7,9,14,17-hexaen-19-one
SMILESCc1cc2c(C)cc1CCn1c(=O)n(c3ccccc31)CC2
InChIInChI=1S/C19H20N2O/c1-13-11-16-8-10-21-18-6-4-3-5-17(18)20(19(21)22)9-7-15(13)12-14(16)2/h3-6,11-12H,7-10H2,1-2H3
InChIKeyPGRKKKBAAFOGFB-UHFFFAOYSA-N
XLogP3.22
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15,17-dimethyl-4,11-diazatetracyclo[12.2.2.14,11.05,10]nonadeca-1(16),5,7,9,14,17-hexaen-19-one with MolForge

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Related Compounds

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Tbpb
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Orphine
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Benzimidazolone scaffold, 8b
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Benzimidazolone scaffold, 8e
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Benzimidazolone scaffold, 8f
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CID 2823735
1,3-Bis-(2-fluoro-benzyl)-1,3-dihydro-benzoimidazol-2-one
CID 1077054
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CID 416359

Frequently Asked Questions

What is the IUPAC name of 15,17-dimethyl-4,11-diazatetracyclo[12.2.2.14,11.05,10]nonadeca-1(16),5,7,9,14,17-hexaen-19-one?
The IUPAC name of 15,17-dimethyl-4,11-diazatetracyclo[12.2.2.14,11.05,10]nonadeca-1(16),5,7,9,14,17-hexaen-19-one (CID 11460562) is 15,17-dimethyl-4,11-diazatetracyclo[12.2.2.14,11.05,10]nonadeca-1(16),5,7,9,14,17-hexaen-19-one.
What is the SMILES notation for 15,17-dimethyl-4,11-diazatetracyclo[12.2.2.14,11.05,10]nonadeca-1(16),5,7,9,14,17-hexaen-19-one?
The canonical SMILES for 15,17-dimethyl-4,11-diazatetracyclo[12.2.2.14,11.05,10]nonadeca-1(16),5,7,9,14,17-hexaen-19-one is Cc1cc2c(C)cc1CCn1c(=O)n(c3ccccc31)CC2.
What is the InChIKey of 15,17-dimethyl-4,11-diazatetracyclo[12.2.2.14,11.05,10]nonadeca-1(16),5,7,9,14,17-hexaen-19-one?
The InChIKey is PGRKKKBAAFOGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-13-11-16-8-10-21-18-6-4-3-5-17(18)20(19(21)22)9-7-15(13)12-14(16)2/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 15,17-dimethyl-4,11-diazatetracyclo[12.2.2.14,11.05,10]nonadeca-1(16),5,7,9,14,17-hexaen-19-one?
15,17-dimethyl-4,11-diazatetracyclo[12.2.2.14,11.05,10]nonadeca-1(16),5,7,9,14,17-hexaen-19-one has a molecular weight of 292.38 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15,17-dimethyl-4,11-diazatetracyclo[12.2.2.14,11.05,10]nonadeca-1(16),5,7,9,14,17-hexaen-19-one is sourced from PubChem (CID 11460562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).