2-[[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one

C21H25N7O4 — CID 154837326

IUPAC2-[[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
SMILESCC(O)c1cn(C2CN(C(=O)C3CN(Cc4nc5ccccc5c(=O)[nH]4)CCO3)C2)nn1
InChIInChI=1S/C21H25N7O4/c1-13(29)17-10-28(25-24-17)14-8-27(9-14)21(31)18-11-26(6-7-32-18)12-19-22-16-5-3-2-4-15(16)20(30)23-19/h2-5,10,13-14,18,29H,6-9,11-12H2,1H3,(H,22,23,30)
InChIKeyAYSMNBRWNYZUFM-UHFFFAOYSA-N
MW439.48 g/mol
LogP-0.15
Rot. Bonds5

About 2-[[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one

2-[[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one (PubChem CID 154837326) has the molecular formula C21H25N7O4 and a molecular weight of 439.48 g/mol. Its IUPAC name is 2-[[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
PubChem CID154837326
Molecular FormulaC21H25N7O4
Molecular Weight439.48 g/mol
Exact Mass439.20
IUPAC Name2-[[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
SMILESCC(O)c1cn(C2CN(C(=O)C3CN(Cc4nc5ccccc5c(=O)[nH]4)CCO3)C2)nn1
InChIInChI=1S/C21H25N7O4/c1-13(29)17-10-28(25-24-17)14-8-27(9-14)21(31)18-11-26(6-7-32-18)12-19-22-16-5-3-2-4-15(16)20(30)23-19/h2-5,10,13-14,18,29H,6-9,11-12H2,1H3,(H,22,23,30)
InChIKeyAYSMNBRWNYZUFM-UHFFFAOYSA-N
XLogP-0.15
TPSA129.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[[2-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 137229611
2-[[(2S)-2-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 137097315
2-[[2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 137127767
2-[[(2S)-2-[(2S)-2-methylpiperazine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 137174071
N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 137077527
N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide
CID 139005887
4-[(4-oxo-3H-quinazolin-2-yl)methyl]-N'-quinoxalin-2-ylmorpholine-2-carbohydrazide
CID 154841493
N-(2-amino-2-cyclopropylethyl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 137147916
4-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-piperidin-3-ylmorpholine-2-carboxamide
CID 137140921
N-(2-methylpiperidin-3-yl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 137159327
2-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136968778
1-[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 154752185

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one (CID 154837326) is 2-[[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one is CC(O)c1cn(C2CN(C(=O)C3CN(Cc4nc5ccccc5c(=O)[nH]4)CCO3)C2)nn1.
What is the InChIKey of 2-[[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one?
The InChIKey is AYSMNBRWNYZUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O4/c1-13(29)17-10-28(25-24-17)14-8-27(9-14)21(31)18-11-26(6-7-32-18)12-19-22-16-5-3-2-4-15(16)20(30)23-19/h2-5,10,13-14,18,29H,6-9,11-12H2,1H3,(H,22,23,30).
What are the key properties of 2-[[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one?
2-[[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one has a molecular weight of 439.48 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidine-1-carbonyl]morpholin-4-yl]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 154837326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).