2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-5-methyl-3H-quinazolin-4-one

C23H25N5O5 — CID 136622099

IUPAC2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-5-methyl-3H-quinazolin-4-one
SMILESCOc1cc2nc(N(C)Cc3cccc(-n4c(O)cn(C)c4=O)c3)[nH]c(=O)c2c(C)c1OC
InChIInChI=1S/C23H25N5O5/c1-13-19-16(10-17(32-4)20(13)33-5)24-22(25-21(19)30)26(2)11-14-7-6-8-15(9-14)28-18(29)12-27(3)23(28)31/h6-10,12,29H,11H2,1-5H3,(H,24,25,30)
InChIKeyBGFIBKFABXOJPH-UHFFFAOYSA-N
MW451.48 g/mol
LogP2.08
Rot. Bonds6

About 2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-5-methyl-3H-quinazolin-4-one

2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-5-methyl-3H-quinazolin-4-one (PubChem CID 136622099) has the molecular formula C23H25N5O5 and a molecular weight of 451.48 g/mol. Its IUPAC name is 2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-5-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-5-methyl-3H-quinazolin-4-one
PubChem CID136622099
Molecular FormulaC23H25N5O5
Molecular Weight451.48 g/mol
Exact Mass451.19
IUPAC Name2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-5-methyl-3H-quinazolin-4-one
SMILESCOc1cc2nc(N(C)Cc3cccc(-n4c(O)cn(C)c4=O)c3)[nH]c(=O)c2c(C)c1OC
InChIInChI=1S/C23H25N5O5/c1-13-19-16(10-17(32-4)20(13)33-5)24-22(25-21(19)30)26(2)11-14-7-6-8-15(9-14)28-18(29)12-27(3)23(28)31/h6-10,12,29H,11H2,1-5H3,(H,24,25,30)
InChIKeyBGFIBKFABXOJPH-UHFFFAOYSA-N
XLogP2.08
TPSA114.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-5-methyl-3H-quinazolin-4-one?
The IUPAC name of 2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-5-methyl-3H-quinazolin-4-one (CID 136622099) is 2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-5-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-5-methyl-3H-quinazolin-4-one?
The canonical SMILES for 2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-5-methyl-3H-quinazolin-4-one is COc1cc2nc(N(C)Cc3cccc(-n4c(O)cn(C)c4=O)c3)[nH]c(=O)c2c(C)c1OC.
What is the InChIKey of 2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-5-methyl-3H-quinazolin-4-one?
The InChIKey is BGFIBKFABXOJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O5/c1-13-19-16(10-17(32-4)20(13)33-5)24-22(25-21(19)30)26(2)11-14-7-6-8-15(9-14)28-18(29)12-27(3)23(28)31/h6-10,12,29H,11H2,1-5H3,(H,24,25,30).
What are the key properties of 2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-5-methyl-3H-quinazolin-4-one?
2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-5-methyl-3H-quinazolin-4-one has a molecular weight of 451.48 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-5-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 136622099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).