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

C18H17N3O5 — CID 7675404

IUPAC[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
SMILESCN(Cc1ccco1)C(=O)COC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C18H17N3O5/c1-20(10-12-6-5-9-25-12)15(22)11-26-18(24)16-13-7-3-4-8-14(13)17(23)21(2)19-16/h3-9H,10-11H2,1-2H3
InChIKeyQKTPYPSGUVFTAQ-UHFFFAOYSA-N
MW355.35 g/mol
LogP1.34
Rot. Bonds5

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

[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate (PubChem CID 7675404) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate.

Molecular Properties

Compound Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
PubChem CID7675404
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
SMILESCN(Cc1ccco1)C(=O)COC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C18H17N3O5/c1-20(10-12-6-5-9-25-12)15(22)11-26-18(24)16-13-7-3-4-8-14(13)17(23)21(2)19-16/h3-9H,10-11H2,1-2H3
InChIKeyQKTPYPSGUVFTAQ-UHFFFAOYSA-N
XLogP1.34
TPSA94.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate
CID 42979044
N-(furan-2-ylmethyl)-3-methyl-4-oxo-N-phenylphthalazine-1-carboxamide
CID 18100582
N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxophthalazine-1-carboxamide
CID 4807510
[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 6599740
[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 16502577
[2-[(4-bromophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 16502580
[2-(tert-butylamino)-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 2488776
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9363385
[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
N-[(2S)-4-(furan-2-yl)butan-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9141827
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 2486658

Frequently Asked Questions

What is the IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate?
The IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate (CID 7675404) is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate.
What is the SMILES notation for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate?
The canonical SMILES for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate is CN(Cc1ccco1)C(=O)COC(=O)c1nn(C)c(=O)c2ccccc12.
What is the InChIKey of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate?
The InChIKey is QKTPYPSGUVFTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-20(10-12-6-5-9-25-12)15(22)11-26-18(24)16-13-7-3-4-8-14(13)17(23)21(2)19-16/h3-9H,10-11H2,1-2H3.
What are the key properties of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate?
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate has a molecular weight of 355.35 g/mol, XLogP of 1.34, 5 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-methyl-4-oxophthalazine-1-carboxylate is sourced from PubChem (CID 7675404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).