[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate

C19H19N3O5 — CID 42979044

IUPAC[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate
SMILESCCn1nc(C(=O)OCC(=O)N(C)Cc2ccco2)c2ccccc2c1=O
InChIInChI=1S/C19H19N3O5/c1-3-22-18(24)15-9-5-4-8-14(15)17(20-22)19(25)27-12-16(23)21(2)11-13-7-6-10-26-13/h4-10H,3,11-12H2,1-2H3
InChIKeyQHWHHSKBCVLZIK-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.82
Rot. Bonds6

About [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate

[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate (PubChem CID 42979044) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate.

Molecular Properties

Compound Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate
PubChem CID42979044
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate
SMILESCCn1nc(C(=O)OCC(=O)N(C)Cc2ccco2)c2ccccc2c1=O
InChIInChI=1S/C19H19N3O5/c1-3-22-18(24)15-9-5-4-8-14(15)17(20-22)19(25)27-12-16(23)21(2)11-13-7-6-10-26-13/h4-10H,3,11-12H2,1-2H3
InChIKeyQHWHHSKBCVLZIK-UHFFFAOYSA-N
XLogP1.82
TPSA94.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 7675404
[2-[(4-bromophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 16502580
[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 16502577
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate
CID 7190191
[2-(dimethylamino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate
CID 7167894
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate
CID 8808402
[2-oxo-2-(4-propylphenyl)ethyl] 3-ethyl-4-oxophthalazine-1-carboxylate
CID 7189889
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate
CID 7500498
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 51462314
[2-[butyl(methyl)amino]-2-oxoethyl] 4-oxo-3-phenylphthalazine-1-carboxylate
CID 8578235
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7789225
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 4-oxo-3-phenylphthalazine-1-carboxylate
CID 46606400

Frequently Asked Questions

What is the IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate?
The IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate (CID 42979044) is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate.
What is the SMILES notation for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate?
The canonical SMILES for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate is CCn1nc(C(=O)OCC(=O)N(C)Cc2ccco2)c2ccccc2c1=O.
What is the InChIKey of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate?
The InChIKey is QHWHHSKBCVLZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-3-22-18(24)15-9-5-4-8-14(15)17(20-22)19(25)27-12-16(23)21(2)11-13-7-6-10-26-13/h4-10H,3,11-12H2,1-2H3.
What are the key properties of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate?
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate has a molecular weight of 369.38 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate is sourced from PubChem (CID 42979044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).