methyl 2-[1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]benzoate

C24H20N2O4 — CID 95917068

IUPACmethyl 2-[1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]benzoate
SMILESCOC(=O)c1ccccc1-n1c(=O)c2ccccc2n(Cc2ccc(C)cc2)c1=O
InChIInChI=1S/C24H20N2O4/c1-16-11-13-17(14-12-16)15-25-20-9-5-3-7-18(20)22(27)26(24(25)29)21-10-6-4-8-19(21)23(28)30-2/h3-14H,15H2,1-2H3
InChIKeyDWEFBJXFNBWYOZ-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.30
Rot. Bonds4

About methyl 2-[1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]benzoate

methyl 2-[1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]benzoate (PubChem CID 95917068) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is methyl 2-[1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-[1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]benzoate
PubChem CID95917068
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Namemethyl 2-[1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]benzoate
SMILESCOC(=O)c1ccccc1-n1c(=O)c2ccccc2n(Cc2ccc(C)cc2)c1=O
InChIInChI=1S/C24H20N2O4/c1-16-11-13-17(14-12-16)15-25-20-9-5-3-7-18(20)22(27)26(24(25)29)21-10-6-4-8-19(21)23(28)30-2/h3-14H,15H2,1-2H3
InChIKeyDWEFBJXFNBWYOZ-UHFFFAOYSA-N
XLogP3.30
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 22429464
3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 17147921
methyl 2-[2,4-dioxo-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-3-yl]benzoate
CID 53101029
3-(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 17159912
ethyl 2-[1-(4-bromobutyl)-2,4-dioxoquinazolin-3-yl]benzoate
CID 22449897
4-[[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 22429968
2-[2,4-dioxo-3-(3,4,5-trimethoxyphenyl)quinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 6621475
3-(2-fluorophenyl)-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione
CID 163854867
2-[4-(1-benzyl-2,4-dioxoquinazolin-3-yl)phenyl]-N-(2-methoxyethyl)acetamide
CID 27371130
N-(4-methoxybutyl)-4-[[1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 53301901
3-[4-[2-(azepan-1-yl)-2-oxoethyl]phenyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 50762535
N-(4-methylphenyl)-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
CID 50762645

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]benzoate?
The IUPAC name of methyl 2-[1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]benzoate (CID 95917068) is methyl 2-[1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]benzoate.
What is the SMILES notation for methyl 2-[1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]benzoate?
The canonical SMILES for methyl 2-[1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]benzoate is COC(=O)c1ccccc1-n1c(=O)c2ccccc2n(Cc2ccc(C)cc2)c1=O.
What is the InChIKey of methyl 2-[1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]benzoate?
The InChIKey is DWEFBJXFNBWYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-16-11-13-17(14-12-16)15-25-20-9-5-3-7-18(20)22(27)26(24(25)29)21-10-6-4-8-19(21)23(28)30-2/h3-14H,15H2,1-2H3.
What are the key properties of methyl 2-[1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]benzoate?
methyl 2-[1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]benzoate has a molecular weight of 400.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]benzoate is sourced from PubChem (CID 95917068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).