methyl 5-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyloxymethyl]furan-2-carboxylate

C21H20N2O6 — CID 43025388

IUPACmethyl 5-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyloxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)CCc2nc3ccccc3c(=O)n2C2CC2)o1
InChIInChI=1S/C21H20N2O6/c1-27-21(26)17-9-8-14(29-17)12-28-19(24)11-10-18-22-16-5-3-2-4-15(16)20(25)23(18)13-6-7-13/h2-5,8-9,13H,6-7,10-12H2,1H3
InChIKeyQNMKSNPKCDALCM-UHFFFAOYSA-N
MW396.40 g/mol
LogP2.79
Rot. Bonds7

About methyl 5-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyloxymethyl]furan-2-carboxylate

methyl 5-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyloxymethyl]furan-2-carboxylate (PubChem CID 43025388) has the molecular formula C21H20N2O6 and a molecular weight of 396.40 g/mol. Its IUPAC name is methyl 5-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyloxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyloxymethyl]furan-2-carboxylate
PubChem CID43025388
Molecular FormulaC21H20N2O6
Molecular Weight396.40 g/mol
Exact Mass396.13
IUPAC Namemethyl 5-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyloxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)CCc2nc3ccccc3c(=O)n2C2CC2)o1
InChIInChI=1S/C21H20N2O6/c1-27-21(26)17-9-8-14(29-17)12-28-19(24)11-10-18-22-16-5-3-2-4-15(16)20(25)23(18)13-6-7-13/h2-5,8-9,13H,6-7,10-12H2,1H3
InChIKeyQNMKSNPKCDALCM-UHFFFAOYSA-N
XLogP2.79
TPSA100.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 5-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyloxymethyl]furan-2-carboxylate 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

[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 55730905
(2-methoxy-2-oxoethyl) 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 43050906
(5-chloro-2-methoxyphenyl)methyl 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 43015446
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid
CID 7131753
methyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580760
[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl] 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 46809068
[2-[5-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxoethyl] 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 43029303
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(9H-xanthen-9-yl)propanamide
CID 56547700
[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 43025402
[2-(2-nitroanilino)-2-oxoethyl] 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 39751306
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 55466640
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 33421215

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyloxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyloxymethyl]furan-2-carboxylate (CID 43025388) is methyl 5-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyloxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyloxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyloxymethyl]furan-2-carboxylate is COC(=O)c1ccc(COC(=O)CCc2nc3ccccc3c(=O)n2C2CC2)o1.
What is the InChIKey of methyl 5-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyloxymethyl]furan-2-carboxylate?
The InChIKey is QNMKSNPKCDALCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6/c1-27-21(26)17-9-8-14(29-17)12-28-19(24)11-10-18-22-16-5-3-2-4-15(16)20(25)23(18)13-6-7-13/h2-5,8-9,13H,6-7,10-12H2,1H3.
What are the key properties of methyl 5-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyloxymethyl]furan-2-carboxylate?
methyl 5-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyloxymethyl]furan-2-carboxylate has a molecular weight of 396.40 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyloxymethyl]furan-2-carboxylate is sourced from PubChem (CID 43025388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).