4-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide

C22H24N4O4 — CID 38745501

IUPAC4-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)N(C)Cc2ccc(C(=O)NC)cc2)c1=O
InChIInChI=1S/C22H24N4O4/c1-4-25-21(29)17-7-5-6-8-18(17)26(22(25)30)14-19(27)24(3)13-15-9-11-16(12-10-15)20(28)23-2/h5-12H,4,13-14H2,1-3H3,(H,23,28)
InChIKeyUQPFCLSAUFCELH-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.20
Rot. Bonds6

About 4-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide

4-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide (PubChem CID 38745501) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 4-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide
PubChem CID38745501
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name4-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)N(C)Cc2ccc(C(=O)NC)cc2)c1=O
InChIInChI=1S/C22H24N4O4/c1-4-25-21(29)17-7-5-6-8-18(17)26(22(25)30)14-19(27)24(3)13-15-9-11-16(12-10-15)20(28)23-2/h5-12H,4,13-14H2,1-3H3,(H,23,28)
InChIKeyUQPFCLSAUFCELH-UHFFFAOYSA-N
XLogP1.20
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide
CID 38744872
N-methyl-4-[[methyl-[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]benzamide
CID 38744100
4-[[[2-(2-ethylbenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide
CID 38746243
N-methyl-4-[[methyl-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide
CID 40669784
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 31683892
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide
CID 31801441
ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide
CID 24609226
methyl 2-[[4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoyl]amino]acetate
CID 46584638
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(furan-2-ylmethyl)-N-phenylacetamide
CID 55447584
N-[(2,3-dimethoxyphenyl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide
CID 18121406
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide
CID 55900388

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide (CID 38745501) is 4-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide is CCn1c(=O)c2ccccc2n(CC(=O)N(C)Cc2ccc(C(=O)NC)cc2)c1=O.
What is the InChIKey of 4-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide?
The InChIKey is UQPFCLSAUFCELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-4-25-21(29)17-7-5-6-8-18(17)26(22(25)30)14-19(27)24(3)13-15-9-11-16(12-10-15)20(28)23-2/h5-12H,4,13-14H2,1-3H3,(H,23,28).
What are the key properties of 4-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide?
4-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide has a molecular weight of 408.46 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 38745501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).