2-(2,4-dichlorophenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione

C21H15Cl2N3O3 — CID 78223299

IUPAC2-(2,4-dichlorophenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione
SMILESCN1C(=O)NC(=O)C2C(c3ccc(Cl)cc3Cl)C3=C(NC21)c1ccccc1C3=O
InChIInChI=1S/C21H15Cl2N3O3/c1-26-19-16(20(28)25-21(26)29)14(12-7-6-9(22)8-13(12)23)15-17(24-19)10-4-2-3-5-11(10)18(15)27/h2-8,14,16,19,24H,1H3,(H,25,28,29)
InChIKeyPEYVGQLHSCXAPB-UHFFFAOYSA-N
MW428.28 g/mol
LogP3.41
Rot. Bonds1

About 2-(2,4-dichlorophenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione

2-(2,4-dichlorophenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione (PubChem CID 78223299) has the molecular formula C21H15Cl2N3O3 and a molecular weight of 428.28 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione
PubChem CID78223299
Molecular FormulaC21H15Cl2N3O3
Molecular Weight428.28 g/mol
Exact Mass427.05
IUPAC Name2-(2,4-dichlorophenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione
SMILESCN1C(=O)NC(=O)C2C(c3ccc(Cl)cc3Cl)C3=C(NC21)c1ccccc1C3=O
InChIInChI=1S/C21H15Cl2N3O3/c1-26-19-16(20(28)25-21(26)29)14(12-7-6-9(22)8-13(12)23)15-17(24-19)10-4-2-3-5-11(10)18(15)27/h2-8,14,16,19,24H,1H3,(H,25,28,29)
InChIKeyPEYVGQLHSCXAPB-UHFFFAOYSA-N
XLogP3.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.28
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dichlorophenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione with MolForge

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Related Compounds

6-amino-2-(2,4-dichlorophenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),6,11,13,15-hexaene-4,17-dione
CID 135524268
7-(2-methoxyethyl)-2-(4-methoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione
CID 74542477
(10S)-10-(2,4-dichlorophenyl)-13-(trifluoromethyl)-11,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,14-hexaen-8-one
CID 2098054
2-(2,4-dichlorophenyl)-7-(3-methoxypropyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
CID 3164992
(3S,4S)-3-(2,4-dichlorophenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 125369939
(4R)-4-(4-chlorophenyl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one
CID 1477795
3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one
CID 2927326
4,5,9,10-tetrakis(2,4-dichlorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione
CID 122374961
(6S)-6-(2,4-dichlorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
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11-(4-methylphenyl)-10,11-dihydro-5H-indeno[2,1-c][1,5]benzodiazepin-12-one
CID 11695771
(3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-methylazetidin-2-one
CID 124504400
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CID 31113969

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione?
The IUPAC name of 2-(2,4-dichlorophenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione (CID 78223299) is 2-(2,4-dichlorophenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione?
The canonical SMILES for 2-(2,4-dichlorophenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione is CN1C(=O)NC(=O)C2C(c3ccc(Cl)cc3Cl)C3=C(NC21)c1ccccc1C3=O.
What is the InChIKey of 2-(2,4-dichlorophenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione?
The InChIKey is PEYVGQLHSCXAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O3/c1-26-19-16(20(28)25-21(26)29)14(12-7-6-9(22)8-13(12)23)15-17(24-19)10-4-2-3-5-11(10)18(15)27/h2-8,14,16,19,24H,1H3,(H,25,28,29).
What are the key properties of 2-(2,4-dichlorophenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione?
2-(2,4-dichlorophenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione has a molecular weight of 428.28 g/mol, XLogP of 3.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-7-methyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione is sourced from PubChem (CID 78223299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).