methyl 2-methyl-5-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]methyl]furan-3-carboxylate

C17H15N3O5 — CID 124504957

IUPACmethyl 2-methyl-5-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)c2n[nH]c(=O)c3ccccc23)oc1C
InChIInChI=1S/C17H15N3O5/c1-9-13(17(23)24-2)7-10(25-9)8-18-16(22)14-11-5-3-4-6-12(11)15(21)20-19-14/h3-7H,8H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyQGYUNQJOXPRTNN-UHFFFAOYSA-N
MW341.32 g/mol
LogP1.54
Rot. Bonds4

About methyl 2-methyl-5-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]methyl]furan-3-carboxylate (PubChem CID 124504957) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is methyl 2-methyl-5-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]methyl]furan-3-carboxylate
PubChem CID124504957
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Namemethyl 2-methyl-5-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)c2n[nH]c(=O)c3ccccc23)oc1C
InChIInChI=1S/C17H15N3O5/c1-9-13(17(23)24-2)7-10(25-9)8-18-16(22)14-11-5-3-4-6-12(11)15(21)20-19-14/h3-7H,8H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyQGYUNQJOXPRTNN-UHFFFAOYSA-N
XLogP1.54
TPSA114.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-methyl-5-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]methyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 2-methyl-5-[[(5-methyl-1H-indazole-3-carbonyl)amino]methyl]furan-3-carboxylate
CID 78866428
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
N-[(5-methylthiophen-2-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 60972041
methyl 2-methyl-5-[[[4-(phenylcarbamoylamino)benzoyl]amino]methyl]furan-3-carboxylate
CID 55619007
methyl 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 47069980
N-[(3-butoxyphenyl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 60517201
N-(3-hydroxy-4-methoxybutyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 103877423
methyl 5-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride
CID 119293494
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 55923658
methyl 2-methyl-5-[(2-methylanilino)methyl]furan-3-carboxylate
CID 43222319
methyl 5-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride
CID 119731037
methyl 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methylfuran-3-carboxylate
CID 103830750

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]methyl]furan-3-carboxylate (CID 124504957) is methyl 2-methyl-5-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CNC(=O)c2n[nH]c(=O)c3ccccc23)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]methyl]furan-3-carboxylate?
The InChIKey is QGYUNQJOXPRTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5/c1-9-13(17(23)24-2)7-10(25-9)8-18-16(22)14-11-5-3-4-6-12(11)15(21)20-19-14/h3-7H,8H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of methyl 2-methyl-5-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]methyl]furan-3-carboxylate has a molecular weight of 341.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 124504957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).