methyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate

C20H23N3O6 — CID 56580760

IUPACmethyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)CCc1nc2ccccc2c(=O)n1C1CC1
InChIInChI=1S/C20H23N3O6/c1-28-18(25)11-22(12-19(26)29-2)17(24)10-9-16-21-15-6-4-3-5-14(15)20(27)23(16)13-7-8-13/h3-6,13H,7-12H2,1-2H3
InChIKeyKUOHQEDWQMXRGG-UHFFFAOYSA-N
MW401.42 g/mol
LogP0.84
Rot. Bonds8

About methyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 56580760) has the molecular formula C20H23N3O6 and a molecular weight of 401.42 g/mol. Its IUPAC name is methyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID56580760
Molecular FormulaC20H23N3O6
Molecular Weight401.42 g/mol
Exact Mass401.16
IUPAC Namemethyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)CCc1nc2ccccc2c(=O)n1C1CC1
InChIInChI=1S/C20H23N3O6/c1-28-18(25)11-22(12-19(26)29-2)17(24)10-9-16-21-15-6-4-3-5-14(15)20(27)23(16)13-7-8-13/h3-6,13H,7-12H2,1-2H3
InChIKeyKUOHQEDWQMXRGG-UHFFFAOYSA-N
XLogP0.84
TPSA107.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methoxy-2-oxoethyl) 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 43050906
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid
CID 7131753
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide
CID 55360025
methyl 5-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyloxymethyl]furan-2-carboxylate
CID 43025388
N-[(5-bromo-2-fluorophenyl)methyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethylpropanamide
CID 55632337
2-[4-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55447006
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(9H-xanthen-9-yl)propanamide
CID 56547700
[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl] 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 46809068
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide
CID 55891425
S-[4-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoylamino]phenyl] N,N-dimethylcarbamothioate
CID 56579902
(5-chloro-2-methoxyphenyl)methyl 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 43015446
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 134013163

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate (CID 56580760) is methyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)CCc1nc2ccccc2c(=O)n1C1CC1.
What is the InChIKey of methyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is KUOHQEDWQMXRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6/c1-28-18(25)11-22(12-19(26)29-2)17(24)10-9-16-21-15-6-4-3-5-14(15)20(27)23(16)13-7-8-13/h3-6,13H,7-12H2,1-2H3.
What are the key properties of methyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 401.42 g/mol, XLogP of 0.84, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 56580760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).