2-[(2,6-dimethylmorpholin-4-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one

C17H23N3O4 — CID 135399040

IUPAC2-[(2,6-dimethylmorpholin-4-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCOc1cc2nc(CN3CC(C)OC(C)C3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C17H23N3O4/c1-10-7-20(8-11(2)24-10)9-16-18-13-6-15(23-4)14(22-3)5-12(13)17(21)19-16/h5-6,10-11H,7-9H2,1-4H3,(H,18,19,21)
InChIKeyQUMFPKPMFLDISL-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.55
Rot. Bonds4

About 2-[(2,6-dimethylmorpholin-4-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one

2-[(2,6-dimethylmorpholin-4-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one (PubChem CID 135399040) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[(2,6-dimethylmorpholin-4-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(2,6-dimethylmorpholin-4-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one
PubChem CID135399040
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name2-[(2,6-dimethylmorpholin-4-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCOc1cc2nc(CN3CC(C)OC(C)C3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C17H23N3O4/c1-10-7-20(8-11(2)24-10)9-16-18-13-6-15(23-4)14(22-3)5-12(13)17(21)19-16/h5-6,10-11H,7-9H2,1-4H3,(H,18,19,21)
InChIKeyQUMFPKPMFLDISL-UHFFFAOYSA-N
XLogP1.55
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylmorpholin-4-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one?
The IUPAC name of 2-[(2,6-dimethylmorpholin-4-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one (CID 135399040) is 2-[(2,6-dimethylmorpholin-4-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(2,6-dimethylmorpholin-4-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-[(2,6-dimethylmorpholin-4-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one is COc1cc2nc(CN3CC(C)OC(C)C3)[nH]c(=O)c2cc1OC.
What is the InChIKey of 2-[(2,6-dimethylmorpholin-4-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one?
The InChIKey is QUMFPKPMFLDISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-10-7-20(8-11(2)24-10)9-16-18-13-6-15(23-4)14(22-3)5-12(13)17(21)19-16/h5-6,10-11H,7-9H2,1-4H3,(H,18,19,21).
What are the key properties of 2-[(2,6-dimethylmorpholin-4-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one?
2-[(2,6-dimethylmorpholin-4-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one has a molecular weight of 333.39 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylmorpholin-4-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 135399040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).