16-acetyl-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione

C19H13NO3 — CID 925012

IUPAC16-acetyl-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
SMILESCC(=O)c1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C19H13NO3/c1-10(21)15-17-11-6-3-4-7-12(11)18(22)13-8-5-9-14(16(13)17)20(2)19(15)23/h3-9H,1-2H3
InChIKeyKQMQRGUKSPEQNU-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.95
Rot. Bonds1

About 16-acetyl-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione

16-acetyl-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione (PubChem CID 925012) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 16-acetyl-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione.

Molecular Properties

Compound Name16-acetyl-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
PubChem CID925012
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Name16-acetyl-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
SMILESCC(=O)c1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C19H13NO3/c1-10(21)15-17-11-6-3-4-7-12(11)18(22)13-8-5-9-14(16(13)17)20(2)19(15)23/h3-9H,1-2H3
InChIKeyKQMQRGUKSPEQNU-UHFFFAOYSA-N
XLogP2.95
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 16-acetyl-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-acetyl-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione?
The IUPAC name of 16-acetyl-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione (CID 925012) is 16-acetyl-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione.
What is the SMILES notation for 16-acetyl-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione?
The canonical SMILES for 16-acetyl-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione is CC(=O)c1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2.
What is the InChIKey of 16-acetyl-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione?
The InChIKey is KQMQRGUKSPEQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3/c1-10(21)15-17-11-6-3-4-7-12(11)18(22)13-8-5-9-14(16(13)17)20(2)19(15)23/h3-9H,1-2H3.
What are the key properties of 16-acetyl-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione?
16-acetyl-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione has a molecular weight of 303.32 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-acetyl-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione is sourced from PubChem (CID 925012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).