methyl 2-methyl-5-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]furan-3-carboxylate

C20H21N3O5 — CID 134016311

IUPACmethyl 2-methyl-5-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)CCn2ncc(=O)c3ccccc32)oc1C
InChIInChI=1S/C20H21N3O5/c1-13-16(20(26)27-3)10-14(28-13)12-22(2)19(25)8-9-23-17-7-5-4-6-15(17)18(24)11-21-23/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyVBBLDUQIUKPBGD-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.13
Rot. Bonds6

About methyl 2-methyl-5-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]furan-3-carboxylate (PubChem CID 134016311) 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-oxocinnolin-1-yl)propanoyl]amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]furan-3-carboxylate
PubChem CID134016311
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Namemethyl 2-methyl-5-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)CCn2ncc(=O)c3ccccc32)oc1C
InChIInChI=1S/C20H21N3O5/c1-13-16(20(26)27-3)10-14(28-13)12-22(2)19(25)8-9-23-17-7-5-4-6-15(17)18(24)11-21-23/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyVBBLDUQIUKPBGD-UHFFFAOYSA-N
XLogP2.13
TPSA94.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-methyl-5-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 2-methyl-5-[[methyl-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]furan-3-carboxylate
CID 30040389
3-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]benzamide
CID 55920417
methyl 2-methyl-5-[[methyl-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]amino]methyl]furan-3-carboxylate
CID 166181806
methyl 5-[[3-(2-fluorophenyl)sulfanylpropanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 134016310
methyl 2-methyl-5-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylate
CID 31859236
N-methyl-N-naphthalen-1-yl-3-(4-oxocinnolin-1-yl)propanamide
CID 86834839
methyl 2-methyl-5-[[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]furan-3-carboxylate
CID 34482863
methyl 2-methyl-5-[[methyl-[2-[(2-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate
CID 55462508
methyl 5-[[3-(3-methoxyphenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34485199
N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 47118864
methyl 2-methyl-5-[[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate
CID 31712108
methyl 5-[[(2-fluorobenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31711214

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]furan-3-carboxylate (CID 134016311) is methyl 2-methyl-5-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CN(C)C(=O)CCn2ncc(=O)c3ccccc32)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]furan-3-carboxylate?
The InChIKey is VBBLDUQIUKPBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-13-16(20(26)27-3)10-14(28-13)12-22(2)19(25)8-9-23-17-7-5-4-6-15(17)18(24)11-21-23/h4-7,10-11H,8-9,12H2,1-3H3.
What are the key properties of methyl 2-methyl-5-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]furan-3-carboxylate has a molecular weight of 383.40 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 134016311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).