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

C20H12Cl2N4O2 — CID 135524268

IUPAC6-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
SMILESNc1nc2c(c(=O)[nH]1)C(c1ccc(Cl)cc1Cl)C1=C(N2)c2ccccc2C1=O
InChIInChI=1S/C20H12Cl2N4O2/c21-8-5-6-11(12(22)7-8)13-14-16(9-3-1-2-4-10(9)17(14)27)24-18-15(13)19(28)26-20(23)25-18/h1-7,13H,(H4,23,24,25,26,28)
InChIKeyCVJRLRSJOKMVTN-UHFFFAOYSA-N
MW411.25 g/mol
LogP3.82
Rot. Bonds1

About 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

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 (PubChem CID 135524268) has the molecular formula C20H12Cl2N4O2 and a molecular weight of 411.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID135524268
Molecular FormulaC20H12Cl2N4O2
Molecular Weight411.25 g/mol
Exact Mass410.03
IUPAC Name6-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
SMILESNc1nc2c(c(=O)[nH]1)C(c1ccc(Cl)cc1Cl)C1=C(N2)c2ccccc2C1=O
InChIInChI=1S/C20H12Cl2N4O2/c21-8-5-6-11(12(22)7-8)13-14-16(9-3-1-2-4-10(9)17(14)27)24-18-15(13)19(28)26-20(23)25-18/h1-7,13H,(H4,23,24,25,26,28)
InChIKeyCVJRLRSJOKMVTN-UHFFFAOYSA-N
XLogP3.82
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.25
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1nc2c(c(=O)[nH]1)C(c1ccc(Cl)cc1Cl)C1=C(N2)c2ccccc2C1=O.
What is the InChIKey of 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?
The InChIKey is CVJRLRSJOKMVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N4O2/c21-8-5-6-11(12(22)7-8)13-14-16(9-3-1-2-4-10(9)17(14)27)24-18-15(13)19(28)26-20(23)25-18/h1-7,13H,(H4,23,24,25,26,28).
What are the key properties of 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?
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 has a molecular weight of 411.25 g/mol, XLogP of 3.82, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135524268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).