methyl 2-methyl-5-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]furan-3-carboxylate

C19H19N3O5 — CID 55612647

IUPACmethyl 2-methyl-5-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)Cn2cnc3c(C)cccc3c2=O)oc1C
InChIInChI=1S/C19H19N3O5/c1-11-5-4-6-14-17(11)21-10-22(18(14)24)9-16(23)20-8-13-7-15(12(2)27-13)19(25)26-3/h4-7,10H,8-9H2,1-3H3,(H,20,23)
InChIKeyZNXBYMWRNMAQLB-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.71
Rot. Bonds5

About methyl 2-methyl-5-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]furan-3-carboxylate (PubChem CID 55612647) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is methyl 2-methyl-5-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]furan-3-carboxylate
PubChem CID55612647
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Namemethyl 2-methyl-5-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)Cn2cnc3c(C)cccc3c2=O)oc1C
InChIInChI=1S/C19H19N3O5/c1-11-5-4-6-14-17(11)21-10-22(18(14)24)9-16(23)20-8-13-7-15(12(2)27-13)19(25)26-3/h4-7,10H,8-9H2,1-3H3,(H,20,23)
InChIKeyZNXBYMWRNMAQLB-UHFFFAOYSA-N
XLogP1.71
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-methyl-5-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]furan-3-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

N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55804193
2,5-dimethyl-N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]furan-3-carbohydrazide
CID 27019627
N-(1-methoxypropan-2-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397674
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55475405
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 39502253
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide
CID 55897690
N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 94798329
methyl 4-chloro-3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzoate
CID 31838386
methyl 3-[2-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]ethynyl]benzoate
CID 46633235
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 51111026
4-methoxy-N-[2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]benzamide
CID 55878694

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]furan-3-carboxylate (CID 55612647) is methyl 2-methyl-5-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CNC(=O)Cn2cnc3c(C)cccc3c2=O)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]furan-3-carboxylate?
The InChIKey is ZNXBYMWRNMAQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-11-5-4-6-14-17(11)21-10-22(18(14)24)9-16(23)20-8-13-7-15(12(2)27-13)19(25)26-3/h4-7,10H,8-9H2,1-3H3,(H,20,23).
What are the key properties of methyl 2-methyl-5-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]furan-3-carboxylate has a molecular weight of 369.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 55612647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).