4-ethyl-13,14-dimethoxy-8-phenyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione

C22H20N4O4 — CID 2968008

IUPAC4-ethyl-13,14-dimethoxy-8-phenyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione
SMILESCCn1cc2c(n1)C(=O)N(c1ccccc1)C1c3ccc(OC)c(OC)c3C(=O)N21
InChIInChI=1S/C22H20N4O4/c1-4-24-12-15-18(23-24)22(28)25(13-8-6-5-7-9-13)20-14-10-11-16(29-2)19(30-3)17(14)21(27)26(15)20/h5-12,20H,4H2,1-3H3
InChIKeyKTCNUNQUQPOYNJ-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.24
Rot. Bonds4

About 4-ethyl-13,14-dimethoxy-8-phenyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione

4-ethyl-13,14-dimethoxy-8-phenyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione (PubChem CID 2968008) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is 4-ethyl-13,14-dimethoxy-8-phenyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione.

Molecular Properties

Compound Name4-ethyl-13,14-dimethoxy-8-phenyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione
PubChem CID2968008
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC Name4-ethyl-13,14-dimethoxy-8-phenyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione
SMILESCCn1cc2c(n1)C(=O)N(c1ccccc1)C1c3ccc(OC)c(OC)c3C(=O)N21
InChIInChI=1S/C22H20N4O4/c1-4-24-12-15-18(23-24)22(28)25(13-8-6-5-7-9-13)20-14-10-11-16(29-2)19(30-3)17(14)21(27)26(15)20/h5-12,20H,4H2,1-3H3
InChIKeyKTCNUNQUQPOYNJ-UHFFFAOYSA-N
XLogP3.24
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-13,14-dimethoxy-8-phenyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione with MolForge

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Related Compounds

6-(4-bromophenyl)-9,10-dimethoxy-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 57383941
9,10-dimethoxy-6-(2-methoxyphenyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
CID 3798136
2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetic acid
CID 91636968
4,5-dimethoxy-3-oxo-N,2-diphenyl-1H-isoindole-1-carboxamide
CID 3743192
(9S)-13,14-dimethoxy-4-methyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione
CID 935182
2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-pyridin-2-ylacetamide
CID 102565073
3-[(6aR)-9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-benzylpropanamide
CID 99995857
5-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-2-ethylsulfanyl-6-hydroxy-3-phenylpyrimidin-4-one
CID 135430110
2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(1H-imidazol-2-yl)acetamide
CID 127253425
2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(1-methylpyrazol-4-yl)acetamide
CID 127254521
methyl 2-[[2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetyl]amino]acetate
CID 91637627
2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-heptylacetamide
CID 127253520

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-13,14-dimethoxy-8-phenyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione?
The IUPAC name of 4-ethyl-13,14-dimethoxy-8-phenyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione (CID 2968008) is 4-ethyl-13,14-dimethoxy-8-phenyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione.
What is the SMILES notation for 4-ethyl-13,14-dimethoxy-8-phenyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione?
The canonical SMILES for 4-ethyl-13,14-dimethoxy-8-phenyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione is CCn1cc2c(n1)C(=O)N(c1ccccc1)C1c3ccc(OC)c(OC)c3C(=O)N21.
What is the InChIKey of 4-ethyl-13,14-dimethoxy-8-phenyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione?
The InChIKey is KTCNUNQUQPOYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-4-24-12-15-18(23-24)22(28)25(13-8-6-5-7-9-13)20-14-10-11-16(29-2)19(30-3)17(14)21(27)26(15)20/h5-12,20H,4H2,1-3H3.
What are the key properties of 4-ethyl-13,14-dimethoxy-8-phenyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione?
4-ethyl-13,14-dimethoxy-8-phenyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione has a molecular weight of 404.43 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-13,14-dimethoxy-8-phenyl-1,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2,5,10(15),11,13-pentaene-7,16-dione is sourced from PubChem (CID 2968008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).