6,7-dichloro-N,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide

C18H19Cl2N3O — CID 2954149

IUPAC6,7-dichloro-N,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCNC(=O)C12CCC(C)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C
InChIInChI=1S/C18H19Cl2N3O/c1-16(2)17(3)5-6-18(16,15(24)21-4)14-13(17)22-11-7-9(19)10(20)8-12(11)23-14/h7-8H,5-6H2,1-4H3,(H,21,24)
InChIKeyQCZNTSNVOUYNDH-UHFFFAOYSA-N
MW364.28 g/mol
LogP4.01
Rot. Bonds1

About 6,7-dichloro-N,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide

6,7-dichloro-N,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (PubChem CID 2954149) has the molecular formula C18H19Cl2N3O and a molecular weight of 364.28 g/mol. Its IUPAC name is 6,7-dichloro-N,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.

Molecular Properties

Compound Name6,7-dichloro-N,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
PubChem CID2954149
Molecular FormulaC18H19Cl2N3O
Molecular Weight364.28 g/mol
Exact Mass363.09
IUPAC Name6,7-dichloro-N,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCNC(=O)C12CCC(C)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C
InChIInChI=1S/C18H19Cl2N3O/c1-16(2)17(3)5-6-18(16,15(24)21-4)14-13(17)22-11-7-9(19)10(20)8-12(11)23-14/h7-8H,5-6H2,1-4H3,(H,21,24)
InChIKeyQCZNTSNVOUYNDH-UHFFFAOYSA-N
XLogP4.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,7-dichloro-N,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-N,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The IUPAC name of 6,7-dichloro-N,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (CID 2954149) is 6,7-dichloro-N,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.
What is the SMILES notation for 6,7-dichloro-N,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The canonical SMILES for 6,7-dichloro-N,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is CNC(=O)C12CCC(C)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C.
What is the InChIKey of 6,7-dichloro-N,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The InChIKey is QCZNTSNVOUYNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O/c1-16(2)17(3)5-6-18(16,15(24)21-4)14-13(17)22-11-7-9(19)10(20)8-12(11)23-14/h7-8H,5-6H2,1-4H3,(H,21,24).
What are the key properties of 6,7-dichloro-N,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
6,7-dichloro-N,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide has a molecular weight of 364.28 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-N,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is sourced from PubChem (CID 2954149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).