methyl 2-[[4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoyl]amino]acetate

C22H22N4O6 — CID 46584638

IUPACmethyl 2-[[4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoyl]amino]acetate
SMILESCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)c1=O
InChIInChI=1S/C22H22N4O6/c1-3-25-21(30)16-6-4-5-7-17(16)26(22(25)31)13-18(27)24-15-10-8-14(9-11-15)20(29)23-12-19(28)32-2/h4-11H,3,12-13H2,1-2H3,(H,23,29)(H,24,27)
InChIKeyQQNKXTLJTWMFDC-UHFFFAOYSA-N
MW438.44 g/mol
LogP0.72
Rot. Bonds7

About methyl 2-[[4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoyl]amino]acetate

methyl 2-[[4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoyl]amino]acetate (PubChem CID 46584638) has the molecular formula C22H22N4O6 and a molecular weight of 438.44 g/mol. Its IUPAC name is methyl 2-[[4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoyl]amino]acetate
PubChem CID46584638
Molecular FormulaC22H22N4O6
Molecular Weight438.44 g/mol
Exact Mass438.15
IUPAC Namemethyl 2-[[4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoyl]amino]acetate
SMILESCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)c1=O
InChIInChI=1S/C22H22N4O6/c1-3-25-21(30)16-6-4-5-7-17(16)26(22(25)31)13-18(27)24-15-10-8-14(9-11-15)20(29)23-12-19(28)32-2/h4-11H,3,12-13H2,1-2H3,(H,23,29)(H,24,27)
InChIKeyQQNKXTLJTWMFDC-UHFFFAOYSA-N
XLogP0.72
TPSA128.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoyl]amino]acetate with MolForge

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Related Compounds

2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 6502231
4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide
CID 24609226
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[4-(1-phenylethylamino)phenyl]acetamide
CID 55987560
N-(3,5-dichlorophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465857
N-(3-bromophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465653
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 38085602
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide
CID 9400092
methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate
CID 2985304
methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 1265260
2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 3432119
2-chloro-N,N-diethyl-4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzamide
CID 55673325
ethyl 4-[[2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetyl]amino]benzoate
CID 22430059

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoyl]amino]acetate (CID 46584638) is methyl 2-[[4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoyl]amino]acetate is CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)c1=O.
What is the InChIKey of methyl 2-[[4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoyl]amino]acetate?
The InChIKey is QQNKXTLJTWMFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O6/c1-3-25-21(30)16-6-4-5-7-17(16)26(22(25)31)13-18(27)24-15-10-8-14(9-11-15)20(29)23-12-19(28)32-2/h4-11H,3,12-13H2,1-2H3,(H,23,29)(H,24,27).
What are the key properties of methyl 2-[[4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoyl]amino]acetate?
methyl 2-[[4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoyl]amino]acetate has a molecular weight of 438.44 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoyl]amino]acetate is sourced from PubChem (CID 46584638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).