13-acetyl-5-methyl-1,13-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraen-8-one

C17H18N2O2 — CID 607627

IUPAC13-acetyl-5-methyl-1,13-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraen-8-one
SMILESCC(=O)N1CCn2c3c(c(=O)c4cc(C)ccc42)CCC31
InChIInChI=1S/C17H18N2O2/c1-10-3-5-14-13(9-10)17(21)12-4-6-15-16(12)19(14)8-7-18(15)11(2)20/h3,5,9,15H,4,6-8H2,1-2H3
InChIKeyFMXVYDSBPBRKBI-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.16
Rot. Bonds

About 13-acetyl-5-methyl-1,13-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraen-8-one

13-acetyl-5-methyl-1,13-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraen-8-one (PubChem CID 607627) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 13-acetyl-5-methyl-1,13-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraen-8-one.

Molecular Properties

Compound Name13-acetyl-5-methyl-1,13-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraen-8-one
PubChem CID607627
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name13-acetyl-5-methyl-1,13-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraen-8-one
SMILESCC(=O)N1CCn2c3c(c(=O)c4cc(C)ccc42)CCC31
InChIInChI=1S/C17H18N2O2/c1-10-3-5-14-13(9-10)17(21)12-4-6-15-16(12)19(14)8-7-18(15)11(2)20/h3,5,9,15H,4,6-8H2,1-2H3
InChIKeyFMXVYDSBPBRKBI-UHFFFAOYSA-N
XLogP2.16
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 13-acetyl-5-methyl-1,13-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraen-8-one?
The IUPAC name of 13-acetyl-5-methyl-1,13-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraen-8-one (CID 607627) is 13-acetyl-5-methyl-1,13-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraen-8-one.
What is the SMILES notation for 13-acetyl-5-methyl-1,13-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraen-8-one?
The canonical SMILES for 13-acetyl-5-methyl-1,13-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraen-8-one is CC(=O)N1CCn2c3c(c(=O)c4cc(C)ccc42)CCC31.
What is the InChIKey of 13-acetyl-5-methyl-1,13-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraen-8-one?
The InChIKey is FMXVYDSBPBRKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-10-3-5-14-13(9-10)17(21)12-4-6-15-16(12)19(14)8-7-18(15)11(2)20/h3,5,9,15H,4,6-8H2,1-2H3.
What are the key properties of 13-acetyl-5-methyl-1,13-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraen-8-one?
13-acetyl-5-methyl-1,13-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraen-8-one has a molecular weight of 282.34 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-acetyl-5-methyl-1,13-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16)-tetraen-8-one is sourced from PubChem (CID 607627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).