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

C24H27N5O5 — CID 136601197

IUPAC5-ethyl-2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCCc1c(OC)c(OC)cc2nc(N(C)Cc3cccc(-n4c(O)cn(C)c4=O)c3)[nH]c(=O)c12
InChIInChI=1S/C24H27N5O5/c1-6-16-20-17(11-18(33-4)21(16)34-5)25-23(26-22(20)31)27(2)12-14-8-7-9-15(10-14)29-19(30)13-28(3)24(29)32/h7-11,13,30H,6,12H2,1-5H3,(H,25,26,31)
InChIKeyIYCYLIRIAGUTNR-UHFFFAOYSA-N
MW465.51 g/mol
LogP2.33
Rot. Bonds7

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

5-ethyl-2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-3H-quinazolin-4-one (PubChem CID 136601197) has the molecular formula C24H27N5O5 and a molecular weight of 465.51 g/mol. Its IUPAC name is 5-ethyl-2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name5-ethyl-2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-3H-quinazolin-4-one
PubChem CID136601197
Molecular FormulaC24H27N5O5
Molecular Weight465.51 g/mol
Exact Mass465.20
IUPAC Name5-ethyl-2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCCc1c(OC)c(OC)cc2nc(N(C)Cc3cccc(-n4c(O)cn(C)c4=O)c3)[nH]c(=O)c12
InChIInChI=1S/C24H27N5O5/c1-6-16-20-17(11-18(33-4)21(16)34-5)25-23(26-22(20)31)27(2)12-14-8-7-9-15(10-14)29-19(30)13-28(3)24(29)32/h7-11,13,30H,6,12H2,1-5H3,(H,25,26,31)
InChIKeyIYCYLIRIAGUTNR-UHFFFAOYSA-N
XLogP2.33
TPSA114.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-5-methyl-3H-quinazolin-4-one
CID 136622099
5,6,7-trimethoxy-2-[[3-(3-methoxy-2-oxopyrrolidin-1-yl)phenyl]methyl-methylamino]-3H-quinazolin-4-one
CID 135454934
2-[[3-(2-iminobutyl)phenyl]methyl-methylamino]-6,7-dimethoxy-5-methyl-3H-quinazolin-4-one
CID 174505120
2-[[3-[1-(dimethylamino)ethyl]phenyl]methyl-methylamino]-6,7-dimethoxy-5-methyl-3H-quinazolin-4-one
CID 135507489
6,7-dimethoxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3H-quinazolin-4-one
CID 135421252
3-(3-ethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one
CID 136648633
6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137267481
3-[[methyl-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]benzonitrile
CID 137268049
5-bromo-8-fluoro-2-[(4-methoxyphenyl)methyl-methylamino]-3H-quinazolin-4-one
CID 155463928
5-ethyl-1-(3-fluoro-4-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 115946769
N-benzyl-2-(cyanomethylsulfanyl)-3-(3-methoxyphenyl)-N-methyl-4-oxoquinazoline-7-carboxamide
CID 46362493
N-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 171649492

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-3H-quinazolin-4-one?
The IUPAC name of 5-ethyl-2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-3H-quinazolin-4-one (CID 136601197) is 5-ethyl-2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-3H-quinazolin-4-one.
What is the SMILES notation for 5-ethyl-2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-3H-quinazolin-4-one?
The canonical SMILES for 5-ethyl-2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-3H-quinazolin-4-one is CCc1c(OC)c(OC)cc2nc(N(C)Cc3cccc(-n4c(O)cn(C)c4=O)c3)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-3H-quinazolin-4-one?
The InChIKey is IYCYLIRIAGUTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O5/c1-6-16-20-17(11-18(33-4)21(16)34-5)25-23(26-22(20)31)27(2)12-14-8-7-9-15(10-14)29-19(30)13-28(3)24(29)32/h7-11,13,30H,6,12H2,1-5H3,(H,25,26,31).
What are the key properties of 5-ethyl-2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-3H-quinazolin-4-one?
5-ethyl-2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-3H-quinazolin-4-one has a molecular weight of 465.51 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[[3-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)phenyl]methyl-methylamino]-6,7-dimethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 136601197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).