N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxy-1-phenyl-2H-quinoline-3-carboxamide

C21H19N5O2 — CID 54716325

IUPACN-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxy-1-phenyl-2H-quinoline-3-carboxamide
SMILESCc1nnc(NC(=O)C2=C(O)c3ccccc3N(c3ccccc3)C2)nc1C
InChIInChI=1S/C21H19N5O2/c1-13-14(2)24-25-21(22-13)23-20(28)17-12-26(15-8-4-3-5-9-15)18-11-7-6-10-16(18)19(17)27/h3-11,27H,12H2,1-2H3,(H,22,23,25,28)
InChIKeyXBKPOIRSSUFPER-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.55
Rot. Bonds3

About N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxy-1-phenyl-2H-quinoline-3-carboxamide

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxy-1-phenyl-2H-quinoline-3-carboxamide (PubChem CID 54716325) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxy-1-phenyl-2H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxy-1-phenyl-2H-quinoline-3-carboxamide
PubChem CID54716325
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxy-1-phenyl-2H-quinoline-3-carboxamide
SMILESCc1nnc(NC(=O)C2=C(O)c3ccccc3N(c3ccccc3)C2)nc1C
InChIInChI=1S/C21H19N5O2/c1-13-14(2)24-25-21(22-13)23-20(28)17-12-26(15-8-4-3-5-9-15)18-11-7-6-10-16(18)19(17)27/h3-11,27H,12H2,1-2H3,(H,22,23,25,28)
InChIKeyXBKPOIRSSUFPER-UHFFFAOYSA-N
XLogP3.55
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxy-1-phenyl-2H-quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxy-1-phenyl-2H-quinoline-3-carboxamide?
The IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxy-1-phenyl-2H-quinoline-3-carboxamide (CID 54716325) is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxy-1-phenyl-2H-quinoline-3-carboxamide.
What is the SMILES notation for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxy-1-phenyl-2H-quinoline-3-carboxamide?
The canonical SMILES for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxy-1-phenyl-2H-quinoline-3-carboxamide is Cc1nnc(NC(=O)C2=C(O)c3ccccc3N(c3ccccc3)C2)nc1C.
What is the InChIKey of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxy-1-phenyl-2H-quinoline-3-carboxamide?
The InChIKey is XBKPOIRSSUFPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-13-14(2)24-25-21(22-13)23-20(28)17-12-26(15-8-4-3-5-9-15)18-11-7-6-10-16(18)19(17)27/h3-11,27H,12H2,1-2H3,(H,22,23,25,28).
What are the key properties of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxy-1-phenyl-2H-quinoline-3-carboxamide?
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxy-1-phenyl-2H-quinoline-3-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-hydroxy-1-phenyl-2H-quinoline-3-carboxamide is sourced from PubChem (CID 54716325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).