[1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate

C18H23N3O5 — CID 55442868

IUPAC[1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
SMILESCCn1c(=O)c2ccccc2n(CC(=O)OC(C)C(=O)NC(C)C)c1=O
InChIInChI=1S/C18H23N3O5/c1-5-20-17(24)13-8-6-7-9-14(13)21(18(20)25)10-15(22)26-12(4)16(23)19-11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,19,23)
InChIKeyBEYJBMWPULTQEQ-UHFFFAOYSA-N
MW361.40 g/mol
LogP0.64
Rot. Bonds6

About [1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate

[1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate (PubChem CID 55442868) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is [1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate.

Molecular Properties

Compound Name[1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
PubChem CID55442868
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name[1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
SMILESCCn1c(=O)c2ccccc2n(CC(=O)OC(C)C(=O)NC(C)C)c1=O
InChIInChI=1S/C18H23N3O5/c1-5-20-17(24)13-8-6-7-9-14(13)21(18(20)25)10-15(22)26-12(4)16(23)19-11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,19,23)
InChIKeyBEYJBMWPULTQEQ-UHFFFAOYSA-N
XLogP0.64
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate with MolForge

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Related Compounds

ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 1265260
[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 55442742
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7450507
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 51248297
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 33089518
N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 55442967
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(1-pyridin-3-ylethyl)acetamide
CID 24642200
[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 16525702
ethyl 2-[3-(2-aminoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 139690708
methyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate
CID 154831058

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate?
The IUPAC name of [1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate (CID 55442868) is [1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate.
What is the SMILES notation for [1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate?
The canonical SMILES for [1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate is CCn1c(=O)c2ccccc2n(CC(=O)OC(C)C(=O)NC(C)C)c1=O.
What is the InChIKey of [1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate?
The InChIKey is BEYJBMWPULTQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-5-20-17(24)13-8-6-7-9-14(13)21(18(20)25)10-15(22)26-12(4)16(23)19-11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,19,23).
What are the key properties of [1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate?
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate has a molecular weight of 361.40 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate is sourced from PubChem (CID 55442868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).