4,5-dichloro-11-methyl-N-(3-methylbutyl)-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide

C19H24Cl2N4O — CID 23641191

IUPAC4,5-dichloro-11-methyl-N-(3-methylbutyl)-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide
SMILESCC(C)CCNC(=O)C1CC2Cn3c(nc4cc(Cl)c(Cl)cc43)C2N1C
InChIInChI=1S/C19H24Cl2N4O/c1-10(2)4-5-22-19(26)16-6-11-9-25-15-8-13(21)12(20)7-14(15)23-18(25)17(11)24(16)3/h7-8,10-11,16-17H,4-6,9H2,1-3H3,(H,22,26)
InChIKeyVWSQNAZBLCEOES-UHFFFAOYSA-N
MW395.33 g/mol
LogP3.88
Rot. Bonds4

About 4,5-dichloro-11-methyl-N-(3-methylbutyl)-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide

4,5-dichloro-11-methyl-N-(3-methylbutyl)-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide (PubChem CID 23641191) has the molecular formula C19H24Cl2N4O and a molecular weight of 395.33 g/mol. Its IUPAC name is 4,5-dichloro-11-methyl-N-(3-methylbutyl)-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-11-methyl-N-(3-methylbutyl)-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide
PubChem CID23641191
Molecular FormulaC19H24Cl2N4O
Molecular Weight395.33 g/mol
Exact Mass394.13
IUPAC Name4,5-dichloro-11-methyl-N-(3-methylbutyl)-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide
SMILESCC(C)CCNC(=O)C1CC2Cn3c(nc4cc(Cl)c(Cl)cc43)C2N1C
InChIInChI=1S/C19H24Cl2N4O/c1-10(2)4-5-22-19(26)16-6-11-9-25-15-8-13(21)12(20)7-14(15)23-18(25)17(11)24(16)3/h7-8,10-11,16-17H,4-6,9H2,1-3H3,(H,22,26)
InChIKeyVWSQNAZBLCEOES-UHFFFAOYSA-N
XLogP3.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,5-dichloro-11-methyl-N-(3-methylbutyl)-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-11-methyl-N-(3-methylbutyl)-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide?
The IUPAC name of 4,5-dichloro-11-methyl-N-(3-methylbutyl)-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide (CID 23641191) is 4,5-dichloro-11-methyl-N-(3-methylbutyl)-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide.
What is the SMILES notation for 4,5-dichloro-11-methyl-N-(3-methylbutyl)-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide?
The canonical SMILES for 4,5-dichloro-11-methyl-N-(3-methylbutyl)-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide is CC(C)CCNC(=O)C1CC2Cn3c(nc4cc(Cl)c(Cl)cc43)C2N1C.
What is the InChIKey of 4,5-dichloro-11-methyl-N-(3-methylbutyl)-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide?
The InChIKey is VWSQNAZBLCEOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N4O/c1-10(2)4-5-22-19(26)16-6-11-9-25-15-8-13(21)12(20)7-14(15)23-18(25)17(11)24(16)3/h7-8,10-11,16-17H,4-6,9H2,1-3H3,(H,22,26).
What are the key properties of 4,5-dichloro-11-methyl-N-(3-methylbutyl)-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide?
4,5-dichloro-11-methyl-N-(3-methylbutyl)-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide has a molecular weight of 395.33 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-11-methyl-N-(3-methylbutyl)-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide is sourced from PubChem (CID 23641191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).