N-(5-chloro-2-methylphenyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

C20H17ClN4O2 — CID 8003955

IUPACN-(5-chloro-2-methylphenyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C
InChIInChI=1S/C20H17ClN4O2/c1-11-6-7-13(21)9-15(11)22-19(26)16-10-14-18(24(16)3)23-17-12(2)5-4-8-25(17)20(14)27/h4-10H,1-3H3,(H,22,26)
InChIKeyBFTUUGJKORFKMU-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.71
Rot. Bonds2

About N-(5-chloro-2-methylphenyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

N-(5-chloro-2-methylphenyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (PubChem CID 8003955) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
PubChem CID8003955
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC NameN-(5-chloro-2-methylphenyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C
InChIInChI=1S/C20H17ClN4O2/c1-11-6-7-13(21)9-15(11)22-19(26)16-10-14-18(24(16)3)23-17-12(2)5-4-8-25(17)20(14)27/h4-10H,1-3H3,(H,22,26)
InChIKeyBFTUUGJKORFKMU-UHFFFAOYSA-N
XLogP3.71
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2-methylphenyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (CID 8003955) is N-(5-chloro-2-methylphenyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The InChIKey is BFTUUGJKORFKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-11-6-7-13(21)9-15(11)22-19(26)16-10-14-18(24(16)3)23-17-12(2)5-4-8-25(17)20(14)27/h4-10H,1-3H3,(H,22,26).
What are the key properties of N-(5-chloro-2-methylphenyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
N-(5-chloro-2-methylphenyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is sourced from PubChem (CID 8003955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).