4,5-dimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione

C17H12N2O4 — CID 57325941

IUPAC4,5-dimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione
SMILESCOc1cc2c3c([nH]c(=O)c2cc1OC)-c1cccnc1C3=O
InChIInChI=1S/C17H12N2O4/c1-22-11-6-9-10(7-12(11)23-2)17(21)19-14-8-4-3-5-18-15(8)16(20)13(9)14/h3-7H,1-2H3,(H,19,21)
InChIKeyNFLHQYXBXPJYNP-UHFFFAOYSA-N
MW308.29 g/mol
LogP2.15
Rot. Bonds2

About 4,5-dimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione

4,5-dimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione (PubChem CID 57325941) has the molecular formula C17H12N2O4 and a molecular weight of 308.29 g/mol. Its IUPAC name is 4,5-dimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione.

Molecular Properties

Compound Name4,5-dimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione
PubChem CID57325941
Molecular FormulaC17H12N2O4
Molecular Weight308.29 g/mol
Exact Mass308.08
IUPAC Name4,5-dimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione
SMILESCOc1cc2c3c([nH]c(=O)c2cc1OC)-c1cccnc1C3=O
InChIInChI=1S/C17H12N2O4/c1-22-11-6-9-10(7-12(11)23-2)17(21)19-14-8-4-3-5-18-15(8)16(20)13(9)14/h3-7H,1-2H3,(H,19,21)
InChIKeyNFLHQYXBXPJYNP-UHFFFAOYSA-N
XLogP2.15
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,5-dimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione with MolForge

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Related Compounds

4,5,14-trimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione
CID 57326035
9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione
CID 53473843
4,7-phenanthroline-5,6-dione
CID 6764
8,9-dimethoxy-5H-phenanthridin-6-one
CID 12703535
phenanthro[9,10-g]quinoline-9,14-dione
CID 71437214
9-(3-imidazol-1-ylpropyl)-4,5-dimethoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione
CID 53474021
9-[3-(2-hydroxyethylamino)propyl]-4,5-dimethoxy-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione;hydrochloride
CID 53474107
2-chloro-3-(3,4-dimethoxyphenyl)pyridine
CID 82087270
3-(2-methoxyphenyl)-4-(3-methoxyphenyl)-2H-isoquinolin-1-one
CID 142740491
2-amino-6H-indeno[1,2-c]isoquinoline-5,11-dione
CID 70335444
6,7-dimethoxy-1-(2-nitrophenyl)isoquinoline
CID 10781241
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CID 166476403

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione?
The IUPAC name of 4,5-dimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione (CID 57325941) is 4,5-dimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione.
What is the SMILES notation for 4,5-dimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione?
The canonical SMILES for 4,5-dimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione is COc1cc2c3c([nH]c(=O)c2cc1OC)-c1cccnc1C3=O.
What is the InChIKey of 4,5-dimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione?
The InChIKey is NFLHQYXBXPJYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4/c1-22-11-6-9-10(7-12(11)23-2)17(21)19-14-8-4-3-5-18-15(8)16(20)13(9)14/h3-7H,1-2H3,(H,19,21).
What are the key properties of 4,5-dimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione?
4,5-dimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione has a molecular weight of 308.29 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione is sourced from PubChem (CID 57325941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).