4-methyl-6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]morpholin-3-one

C18H23N5O2 — CID 126894463

IUPAC4-methyl-6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]morpholin-3-one
SMILESCN1CC(CN2CCN(c3ccc4ncncc4c3)CC2)OCC1=O
InChIInChI=1S/C18H23N5O2/c1-21-10-16(25-12-18(21)24)11-22-4-6-23(7-5-22)15-2-3-17-14(8-15)9-19-13-20-17/h2-3,8-9,13,16H,4-7,10-12H2,1H3
InChIKeyNYYIKJXWHWOPDU-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.61
Rot. Bonds3

About 4-methyl-6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]morpholin-3-one

4-methyl-6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]morpholin-3-one (PubChem CID 126894463) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-methyl-6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]morpholin-3-one.

Molecular Properties

Compound Name4-methyl-6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]morpholin-3-one
PubChem CID126894463
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name4-methyl-6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]morpholin-3-one
SMILESCN1CC(CN2CCN(c3ccc4ncncc4c3)CC2)OCC1=O
InChIInChI=1S/C18H23N5O2/c1-21-10-16(25-12-18(21)24)11-22-4-6-23(7-5-22)15-2-3-17-14(8-15)9-19-13-20-17/h2-3,8-9,13,16H,4-7,10-12H2,1H3
InChIKeyNYYIKJXWHWOPDU-UHFFFAOYSA-N
XLogP0.61
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one
CID 126894474
4-methyl-6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one
CID 126896199
6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one
CID 126895572
6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline
CID 126894285
6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one
CID 126894338
2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 126894405
oxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone
CID 126894159
1-(5-methylfuran-2-yl)-2-(4-quinazolin-6-ylpiperazin-1-yl)ethanol
CID 126894524
6-[4-[(2-cyclobutylpyrimidin-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126894373
1,1,1-trifluoro-3-(4-quinazolin-6-ylpiperazin-1-yl)propan-2-ol
CID 126894549
2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone
CID 126894160
6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazoline
CID 126894296

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]morpholin-3-one?
The IUPAC name of 4-methyl-6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]morpholin-3-one (CID 126894463) is 4-methyl-6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]morpholin-3-one.
What is the SMILES notation for 4-methyl-6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]morpholin-3-one?
The canonical SMILES for 4-methyl-6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]morpholin-3-one is CN1CC(CN2CCN(c3ccc4ncncc4c3)CC2)OCC1=O.
What is the InChIKey of 4-methyl-6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]morpholin-3-one?
The InChIKey is NYYIKJXWHWOPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-21-10-16(25-12-18(21)24)11-22-4-6-23(7-5-22)15-2-3-17-14(8-15)9-19-13-20-17/h2-3,8-9,13,16H,4-7,10-12H2,1H3.
What are the key properties of 4-methyl-6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]morpholin-3-one?
4-methyl-6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]morpholin-3-one has a molecular weight of 341.42 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]morpholin-3-one is sourced from PubChem (CID 126894463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).