N-[4-[3-[methyl([1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]phenyl]phenyl]acetamide

C24H20N6O — CID 156557271

IUPACN-[4-[3-[methyl([1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(N(C)c3nc4nncn4c4ccccc34)c2)cc1
InChIInChI=1S/C24H20N6O/c1-16(31)26-19-12-10-17(11-13-19)18-6-5-7-20(14-18)29(2)23-21-8-3-4-9-22(21)30-15-25-28-24(30)27-23/h3-15H,1-2H3,(H,26,31)
InChIKeyVRVSTDNSKOTGKY-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.67
Rot. Bonds4

About N-[4-[3-[methyl([1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]phenyl]phenyl]acetamide

N-[4-[3-[methyl([1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]phenyl]phenyl]acetamide (PubChem CID 156557271) has the molecular formula C24H20N6O and a molecular weight of 408.47 g/mol. Its IUPAC name is N-[4-[3-[methyl([1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[methyl([1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]phenyl]phenyl]acetamide
PubChem CID156557271
Molecular FormulaC24H20N6O
Molecular Weight408.47 g/mol
Exact Mass408.17
IUPAC NameN-[4-[3-[methyl([1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccc(N(C)c3nc4nncn4c4ccccc34)c2)cc1
InChIInChI=1S/C24H20N6O/c1-16(31)26-19-12-10-17(11-13-19)18-6-5-7-20(14-18)29(2)23-21-8-3-4-9-22(21)30-15-25-28-24(30)27-23/h3-15H,1-2H3,(H,26,31)
InChIKeyVRVSTDNSKOTGKY-UHFFFAOYSA-N
XLogP4.67
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[methyl([1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]phenyl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[methyl([1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]phenyl]phenyl]acetamide (CID 156557271) is N-[4-[3-[methyl([1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]phenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[methyl([1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]phenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[methyl([1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]phenyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cccc(N(C)c3nc4nncn4c4ccccc34)c2)cc1.
What is the InChIKey of N-[4-[3-[methyl([1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]phenyl]phenyl]acetamide?
The InChIKey is VRVSTDNSKOTGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O/c1-16(31)26-19-12-10-17(11-13-19)18-6-5-7-20(14-18)29(2)23-21-8-3-4-9-22(21)30-15-25-28-24(30)27-23/h3-15H,1-2H3,(H,26,31).
What are the key properties of N-[4-[3-[methyl([1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]phenyl]phenyl]acetamide?
N-[4-[3-[methyl([1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]phenyl]phenyl]acetamide has a molecular weight of 408.47 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[methyl([1,2,4]triazolo[4,3-a]quinazolin-5-yl)amino]phenyl]phenyl]acetamide is sourced from PubChem (CID 156557271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).