3-methyl-2-[[3-oxo-4-(oxolan-3-yl)piperazin-1-yl]methyl]quinazolin-4-one

C18H22N4O3 — CID 166308649

IUPAC3-methyl-2-[[3-oxo-4-(oxolan-3-yl)piperazin-1-yl]methyl]quinazolin-4-one
SMILESCn1c(CN2CCN(C3CCOC3)C(=O)C2)nc2ccccc2c1=O
InChIInChI=1S/C18H22N4O3/c1-20-16(19-15-5-3-2-4-14(15)18(20)24)10-21-7-8-22(17(23)11-21)13-6-9-25-12-13/h2-5,13H,6-12H2,1H3
InChIKeyFZQLTKZUFAXOOY-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.37
Rot. Bonds3

About 3-methyl-2-[[3-oxo-4-(oxolan-3-yl)piperazin-1-yl]methyl]quinazolin-4-one

3-methyl-2-[[3-oxo-4-(oxolan-3-yl)piperazin-1-yl]methyl]quinazolin-4-one (PubChem CID 166308649) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-methyl-2-[[3-oxo-4-(oxolan-3-yl)piperazin-1-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[[3-oxo-4-(oxolan-3-yl)piperazin-1-yl]methyl]quinazolin-4-one
PubChem CID166308649
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name3-methyl-2-[[3-oxo-4-(oxolan-3-yl)piperazin-1-yl]methyl]quinazolin-4-one
SMILESCn1c(CN2CCN(C3CCOC3)C(=O)C2)nc2ccccc2c1=O
InChIInChI=1S/C18H22N4O3/c1-20-16(19-15-5-3-2-4-14(15)18(20)24)10-21-7-8-22(17(23)11-21)13-6-9-25-12-13/h2-5,13H,6-12H2,1H3
InChIKeyFZQLTKZUFAXOOY-UHFFFAOYSA-N
XLogP0.37
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-2-[[3-oxo-4-(oxolan-3-yl)piperazin-1-yl]methyl]quinazolin-4-one with MolForge

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Related Compounds

2-[(2-benzylmorpholin-4-yl)methyl]-3-methylquinazolin-4-one
CID 122135267
3-[4-oxo-3-(oxolan-3-yl)quinazolin-2-yl]propanoic acid
CID 80713286
2-[(3-imidazol-1-yl-4-methylpiperidin-1-yl)methyl]-3-methylquinazolin-4-one
CID 84593167
3-methyl-2-(2-piperidin-1-ylethyl)quinazolin-4-one
CID 102371390
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
2-(bromomethyl)-3-methylquinazolin-4-one
CID 15707759
ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one
CID 91302678
2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride
CID 75537334
2-[[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]methyl]-3-methylquinazolin-4-one
CID 126794965
3-methyl-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]quinazolin-4-one
CID 129492206
N-ethyl-2-[1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]piperidin-2-yl]acetamide
CID 126798445
2-[[(4aR,7aS)-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]methyl]-3-methylquinazolin-4-one
CID 120684212

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[3-oxo-4-(oxolan-3-yl)piperazin-1-yl]methyl]quinazolin-4-one?
The IUPAC name of 3-methyl-2-[[3-oxo-4-(oxolan-3-yl)piperazin-1-yl]methyl]quinazolin-4-one (CID 166308649) is 3-methyl-2-[[3-oxo-4-(oxolan-3-yl)piperazin-1-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-2-[[3-oxo-4-(oxolan-3-yl)piperazin-1-yl]methyl]quinazolin-4-one?
The canonical SMILES for 3-methyl-2-[[3-oxo-4-(oxolan-3-yl)piperazin-1-yl]methyl]quinazolin-4-one is Cn1c(CN2CCN(C3CCOC3)C(=O)C2)nc2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-[[3-oxo-4-(oxolan-3-yl)piperazin-1-yl]methyl]quinazolin-4-one?
The InChIKey is FZQLTKZUFAXOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-20-16(19-15-5-3-2-4-14(15)18(20)24)10-21-7-8-22(17(23)11-21)13-6-9-25-12-13/h2-5,13H,6-12H2,1H3.
What are the key properties of 3-methyl-2-[[3-oxo-4-(oxolan-3-yl)piperazin-1-yl]methyl]quinazolin-4-one?
3-methyl-2-[[3-oxo-4-(oxolan-3-yl)piperazin-1-yl]methyl]quinazolin-4-one has a molecular weight of 342.40 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[3-oxo-4-(oxolan-3-yl)piperazin-1-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 166308649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).