(2-methoxycarbonylfuran-3-yl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate

C19H18N2O6 — CID 55459050

IUPAC(2-methoxycarbonylfuran-3-yl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
SMILESCOC(=O)c1occc1COC(=O)c1nn(C(C)C)c(=O)c2ccccc12
InChIInChI=1S/C19H18N2O6/c1-11(2)21-17(22)14-7-5-4-6-13(14)15(20-21)18(23)27-10-12-8-9-26-16(12)19(24)25-3/h4-9,11H,10H2,1-3H3
InChIKeyMYVUOJBDVTXKED-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.71
Rot. Bonds5

About (2-methoxycarbonylfuran-3-yl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate

(2-methoxycarbonylfuran-3-yl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate (PubChem CID 55459050) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is (2-methoxycarbonylfuran-3-yl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate.

Molecular Properties

Compound Name(2-methoxycarbonylfuran-3-yl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
PubChem CID55459050
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name(2-methoxycarbonylfuran-3-yl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
SMILESCOC(=O)c1occc1COC(=O)c1nn(C(C)C)c(=O)c2ccccc12
InChIInChI=1S/C19H18N2O6/c1-11(2)21-17(22)14-7-5-4-6-13(14)15(20-21)18(23)27-10-12-8-9-26-16(12)19(24)25-3/h4-9,11H,10H2,1-3H3
InChIKeyMYVUOJBDVTXKED-UHFFFAOYSA-N
XLogP2.71
TPSA100.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(3-methyl-1-benzofuran-2-yl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
CID 86953820
(1,3-dioxoisoindol-2-yl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
CID 4541590
(7-acetamido-2-oxochromen-4-yl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
CID 55325652
[2-(furan-2-carbonylamino)-2-oxoethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
CID 55459122
(3,3-dimethyl-2-oxobutyl) 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
CID 3641135
[2-(4-hydroxyanilino)-2-oxoethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
CID 46648248
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
CID 2534802
(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
CID 46622620
2-(3-methylbutoxy)ethyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
CID 87044428
methyl (2S)-2-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]propanoate
CID 87040056
(2-methoxyphenyl) 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
CID 51149613
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
CID 3634669

Frequently Asked Questions

What is the IUPAC name of (2-methoxycarbonylfuran-3-yl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate?
The IUPAC name of (2-methoxycarbonylfuran-3-yl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate (CID 55459050) is (2-methoxycarbonylfuran-3-yl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate.
What is the SMILES notation for (2-methoxycarbonylfuran-3-yl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate?
The canonical SMILES for (2-methoxycarbonylfuran-3-yl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate is COC(=O)c1occc1COC(=O)c1nn(C(C)C)c(=O)c2ccccc12.
What is the InChIKey of (2-methoxycarbonylfuran-3-yl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate?
The InChIKey is MYVUOJBDVTXKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-11(2)21-17(22)14-7-5-4-6-13(14)15(20-21)18(23)27-10-12-8-9-26-16(12)19(24)25-3/h4-9,11H,10H2,1-3H3.
What are the key properties of (2-methoxycarbonylfuran-3-yl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate?
(2-methoxycarbonylfuran-3-yl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate has a molecular weight of 370.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxycarbonylfuran-3-yl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate is sourced from PubChem (CID 55459050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).