methyl 2-methyl-5-[[methyl-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]amino]methyl]furan-3-carboxylate

C20H21N3O5 — CID 166181806

IUPACmethyl 2-methyl-5-[[methyl-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)CCc2nc3ccccc3c(=O)[nH]2)oc1C
InChIInChI=1S/C20H21N3O5/c1-12-15(20(26)27-3)10-13(28-12)11-23(2)18(24)9-8-17-21-16-7-5-4-6-14(16)19(25)22-17/h4-7,10H,8-9,11H2,1-3H3,(H,21,22,25)
InChIKeyDYHVHOQJSVZCEN-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.20
Rot. Bonds6

About methyl 2-methyl-5-[[methyl-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]amino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[methyl-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]amino]methyl]furan-3-carboxylate (PubChem CID 166181806) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is methyl 2-methyl-5-[[methyl-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[methyl-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]amino]methyl]furan-3-carboxylate
PubChem CID166181806
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Namemethyl 2-methyl-5-[[methyl-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)CCc2nc3ccccc3c(=O)[nH]2)oc1C
InChIInChI=1S/C20H21N3O5/c1-12-15(20(26)27-3)10-13(28-12)11-23(2)18(24)9-8-17-21-16-7-5-4-6-14(16)19(25)22-17/h4-7,10H,8-9,11H2,1-3H3,(H,21,22,25)
InChIKeyDYHVHOQJSVZCEN-UHFFFAOYSA-N
XLogP2.20
TPSA105.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-methyl-5-[[methyl-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]amino]methyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 4-[[methyl-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]amino]methyl]benzoate
CID 135915704
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137288392
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711264
methyl 2-methyl-5-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]furan-3-carboxylate
CID 134016311
methyl 5-[[3-(3-methoxyphenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34485199
methyl 5-[[2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 134016262
N-methyl-3-(4-oxo-3H-quinazolin-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 137287838
4-(2,5-dimethylphenyl)-N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide
CID 135877052
methyl 5-[[3-(2-fluorophenyl)sulfanylpropanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 134016310
N-(2-methoxyethyl)-2,5-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide
CID 135939332
N-methyl-4-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenoxyethyl)butanamide
CID 135976954
2-methoxy-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 135690873

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[methyl-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[methyl-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]amino]methyl]furan-3-carboxylate (CID 166181806) is methyl 2-methyl-5-[[methyl-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[methyl-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[methyl-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CN(C)C(=O)CCc2nc3ccccc3c(=O)[nH]2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[methyl-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]amino]methyl]furan-3-carboxylate?
The InChIKey is DYHVHOQJSVZCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-12-15(20(26)27-3)10-13(28-12)11-23(2)18(24)9-8-17-21-16-7-5-4-6-14(16)19(25)22-17/h4-7,10H,8-9,11H2,1-3H3,(H,21,22,25).
What are the key properties of methyl 2-methyl-5-[[methyl-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[methyl-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]amino]methyl]furan-3-carboxylate has a molecular weight of 383.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[methyl-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 166181806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).