[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate

C18H23N3O5 — CID 55476478

IUPAC[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
SMILESCOCC(C)NC(=O)COC(=O)CCc1nc2ccccc2c(=O)n1C
InChIInChI=1S/C18H23N3O5/c1-12(10-25-3)19-16(22)11-26-17(23)9-8-15-20-14-7-5-4-6-13(14)18(24)21(15)2/h4-7,12H,8-11H2,1-3H3,(H,19,22)
InChIKeyMVKMAOAMUFONPO-UHFFFAOYSA-N
MW361.40 g/mol
LogP0.56
Rot. Bonds8

About [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate

[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate (PubChem CID 55476478) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate.

Molecular Properties

Compound Name[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
PubChem CID55476478
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
SMILESCOCC(C)NC(=O)COC(=O)CCc1nc2ccccc2c(=O)n1C
InChIInChI=1S/C18H23N3O5/c1-12(10-25-3)19-16(22)11-26-17(23)9-8-15-20-14-7-5-4-6-13(14)18(24)21(15)2/h4-7,12H,8-11H2,1-3H3,(H,19,22)
InChIKeyMVKMAOAMUFONPO-UHFFFAOYSA-N
XLogP0.56
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(3-methylbutylamino)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 30933282
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 55424345
[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 46627228
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 38178587
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 46627435
pyridin-2-ylmethyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 43021661
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 55476112
[2-(2,5-difluorophenyl)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 30933396
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 55424286
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 55424386
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 30933838
N-[2-(4-methoxyphenoxy)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
CID 8935859

Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate?
The IUPAC name of [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate (CID 55476478) is [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate.
What is the SMILES notation for [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate?
The canonical SMILES for [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate is COCC(C)NC(=O)COC(=O)CCc1nc2ccccc2c(=O)n1C.
What is the InChIKey of [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate?
The InChIKey is MVKMAOAMUFONPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-12(10-25-3)19-16(22)11-26-17(23)9-8-15-20-14-7-5-4-6-13(14)18(24)21(15)2/h4-7,12H,8-11H2,1-3H3,(H,19,22).
What are the key properties of [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate?
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate has a molecular weight of 361.40 g/mol, XLogP of 0.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate is sourced from PubChem (CID 55476478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).