N-[4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]phenyl]-2-morpholin-4-ylacetamide

C23H25N7O3 — CID 55511372

IUPACN-[4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]phenyl]-2-morpholin-4-ylacetamide
SMILESCn1c(=O)c2ccccc2n2c(CNc3ccc(NC(=O)CN4CCOCC4)cc3)nnc12
InChIInChI=1S/C23H25N7O3/c1-28-22(32)18-4-2-3-5-19(18)30-20(26-27-23(28)30)14-24-16-6-8-17(9-7-16)25-21(31)15-29-10-12-33-13-11-29/h2-9,24H,10-15H2,1H3,(H,25,31)
InChIKeyYIMLQMGHIJSIOF-UHFFFAOYSA-N
MW447.50 g/mol
LogP1.46
Rot. Bonds6

About N-[4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]phenyl]-2-morpholin-4-ylacetamide

N-[4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]phenyl]-2-morpholin-4-ylacetamide (PubChem CID 55511372) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-[4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]phenyl]-2-morpholin-4-ylacetamide
PubChem CID55511372
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC NameN-[4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]phenyl]-2-morpholin-4-ylacetamide
SMILESCn1c(=O)c2ccccc2n2c(CNc3ccc(NC(=O)CN4CCOCC4)cc3)nnc12
InChIInChI=1S/C23H25N7O3/c1-28-22(32)18-4-2-3-5-19(18)30-20(26-27-23(28)30)14-24-16-6-8-17(9-7-16)25-21(31)15-29-10-12-33-13-11-29/h2-9,24H,10-15H2,1H3,(H,25,31)
InChIKeyYIMLQMGHIJSIOF-UHFFFAOYSA-N
XLogP1.46
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-[(4-ethylanilino)methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17460472
4-methyl-1-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 26640236
1-[[4-(difluoromethoxy)anilino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 36586115
1-[[3-(hydroxymethyl)anilino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 110879806
4-methyl-1-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 26642740
2-[2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]phenyl]sulfanylacetamide
CID 51226896
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
N-[4-[(3-methyl-2-pyridinyl)methylamino]phenyl]-2-morpholin-4-ylacetamide
CID 86786863
1-(aminomethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 94830242
2-(2-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 51327232
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
1,3-dimethyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 30823859

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]phenyl]-2-morpholin-4-ylacetamide (CID 55511372) is N-[4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]phenyl]-2-morpholin-4-ylacetamide is Cn1c(=O)c2ccccc2n2c(CNc3ccc(NC(=O)CN4CCOCC4)cc3)nnc12.
What is the InChIKey of N-[4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is YIMLQMGHIJSIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-28-22(32)18-4-2-3-5-19(18)30-20(26-27-23(28)30)14-24-16-6-8-17(9-7-16)25-21(31)15-29-10-12-33-13-11-29/h2-9,24H,10-15H2,1H3,(H,25,31).
What are the key properties of N-[4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]phenyl]-2-morpholin-4-ylacetamide?
N-[4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 447.50 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methylamino]phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 55511372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).