11-hydroxy-6-methyl-12-phenyl-2,12-diazatricyclo[9.1.1.03,8]trideca-1,3(8),4,6-tetraen-13-one

C18H16N2O2 — CID 171124485

IUPAC11-hydroxy-6-methyl-12-phenyl-2,12-diazatricyclo[9.1.1.03,8]trideca-1,3(8),4,6-tetraen-13-one
SMILESCc1ccc2c(c1)CCC1(O)C(=O)/C(=N/2)N1c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-12-7-8-15-13(11-12)9-10-18(22)16(21)17(19-15)20(18)14-5-3-2-4-6-14/h2-8,11,22H,9-10H2,1H3/b19-17+
InChIKeyPXCVQIIWRWHNKE-HTXNQAPBSA-N
MW292.34 g/mol
LogP2.75
Rot. Bonds1

About 11-hydroxy-6-methyl-12-phenyl-2,12-diazatricyclo[9.1.1.03,8]trideca-1,3(8),4,6-tetraen-13-one

11-hydroxy-6-methyl-12-phenyl-2,12-diazatricyclo[9.1.1.03,8]trideca-1,3(8),4,6-tetraen-13-one (PubChem CID 171124485) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 11-hydroxy-6-methyl-12-phenyl-2,12-diazatricyclo[9.1.1.03,8]trideca-1,3(8),4,6-tetraen-13-one.

Molecular Properties

Compound Name11-hydroxy-6-methyl-12-phenyl-2,12-diazatricyclo[9.1.1.03,8]trideca-1,3(8),4,6-tetraen-13-one
PubChem CID171124485
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name11-hydroxy-6-methyl-12-phenyl-2,12-diazatricyclo[9.1.1.03,8]trideca-1,3(8),4,6-tetraen-13-one
SMILESCc1ccc2c(c1)CCC1(O)C(=O)/C(=N/2)N1c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-12-7-8-15-13(11-12)9-10-18(22)16(21)17(19-15)20(18)14-5-3-2-4-6-14/h2-8,11,22H,9-10H2,1H3/b19-17+
InChIKeyPXCVQIIWRWHNKE-HTXNQAPBSA-N
XLogP2.75
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-6-methyl-12-phenyl-2,12-diazatricyclo[9.1.1.03,8]trideca-1,3(8),4,6-tetraen-13-one?
The IUPAC name of 11-hydroxy-6-methyl-12-phenyl-2,12-diazatricyclo[9.1.1.03,8]trideca-1,3(8),4,6-tetraen-13-one (CID 171124485) is 11-hydroxy-6-methyl-12-phenyl-2,12-diazatricyclo[9.1.1.03,8]trideca-1,3(8),4,6-tetraen-13-one.
What is the SMILES notation for 11-hydroxy-6-methyl-12-phenyl-2,12-diazatricyclo[9.1.1.03,8]trideca-1,3(8),4,6-tetraen-13-one?
The canonical SMILES for 11-hydroxy-6-methyl-12-phenyl-2,12-diazatricyclo[9.1.1.03,8]trideca-1,3(8),4,6-tetraen-13-one is Cc1ccc2c(c1)CCC1(O)C(=O)/C(=N/2)N1c1ccccc1.
What is the InChIKey of 11-hydroxy-6-methyl-12-phenyl-2,12-diazatricyclo[9.1.1.03,8]trideca-1,3(8),4,6-tetraen-13-one?
The InChIKey is PXCVQIIWRWHNKE-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-7-8-15-13(11-12)9-10-18(22)16(21)17(19-15)20(18)14-5-3-2-4-6-14/h2-8,11,22H,9-10H2,1H3/b19-17+.
What are the key properties of 11-hydroxy-6-methyl-12-phenyl-2,12-diazatricyclo[9.1.1.03,8]trideca-1,3(8),4,6-tetraen-13-one?
11-hydroxy-6-methyl-12-phenyl-2,12-diazatricyclo[9.1.1.03,8]trideca-1,3(8),4,6-tetraen-13-one has a molecular weight of 292.34 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-6-methyl-12-phenyl-2,12-diazatricyclo[9.1.1.03,8]trideca-1,3(8),4,6-tetraen-13-one is sourced from PubChem (CID 171124485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).