N-(8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide

C18H12N2O3 — CID 3376321

IUPACN-(8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide
SMILESCC(=O)Nc1c2c3c(cccc3[nH]c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C18H12N2O3/c1-9(21)19-16-15-10-5-2-3-6-11(10)17(22)12-7-4-8-13(14(12)15)20-18(16)23/h2-8H,1H3,(H,19,21)(H,20,23)
InChIKeyVHOIHACVJXNAJW-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.70
Rot. Bonds1

About N-(8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide

N-(8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide (PubChem CID 3376321) has the molecular formula C18H12N2O3 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-(8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide.

Molecular Properties

Compound NameN-(8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide
PubChem CID3376321
Molecular FormulaC18H12N2O3
Molecular Weight304.31 g/mol
Exact Mass304.08
IUPAC NameN-(8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide
SMILESCC(=O)Nc1c2c3c(cccc3[nH]c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C18H12N2O3/c1-9(21)19-16-15-10-5-2-3-6-11(10)17(22)12-7-4-8-13(14(12)15)20-18(16)23/h2-8H,1H3,(H,19,21)(H,20,23)
InChIKeyVHOIHACVJXNAJW-UHFFFAOYSA-N
XLogP2.70
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide with MolForge

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Related Compounds

16-(2-methoxyanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
CID 4680834
16-(cyclohexylamino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
CID 791001
N-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetamide
CID 44561346
N-(9-methylidene-10-oxoanthracen-1-yl)acetamide
CID 138614732
N-[4-[(14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)amino]phenyl]acetamide
CID 1263816
14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
CID 824419
16-(4-acetylphenyl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione
CID 122226298
N-(2-formyl-9,10-dioxoanthracen-1-yl)acetamide
CID 2749308
N-(4-acetyl-9,10-dioxoanthracen-1-yl)acetamide
CID 165362960
N-(1,3,4-trioxoisoquinolin-5-yl)acetamide
CID 11572178
methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864
methyl (9-oxofluoren-4-yl) carbonate
CID 67416838

Frequently Asked Questions

What is the IUPAC name of N-(8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide?
The IUPAC name of N-(8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide (CID 3376321) is N-(8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide.
What is the SMILES notation for N-(8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide?
The canonical SMILES for N-(8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide is CC(=O)Nc1c2c3c(cccc3[nH]c1=O)C(=O)c1ccccc1-2.
What is the InChIKey of N-(8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide?
The InChIKey is VHOIHACVJXNAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3/c1-9(21)19-16-15-10-5-2-3-6-11(10)17(22)12-7-4-8-13(14(12)15)20-18(16)23/h2-8H,1H3,(H,19,21)(H,20,23).
What are the key properties of N-(8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide?
N-(8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide has a molecular weight of 304.31 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-16-yl)acetamide is sourced from PubChem (CID 3376321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).