(5-methoxycarbonylfuran-2-yl)methyl 1-benzyl-6-oxopyridazine-3-carboxylate

C19H16N2O6 — CID 2647976

IUPAC(5-methoxycarbonylfuran-2-yl)methyl 1-benzyl-6-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)o1
InChIInChI=1S/C19H16N2O6/c1-25-19(24)16-9-7-14(27-16)12-26-18(23)15-8-10-17(22)21(20-15)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKeyULDRLXMIJKVCBO-UHFFFAOYSA-N
MW368.35 g/mol
LogP2.03
Rot. Bonds6

About (5-methoxycarbonylfuran-2-yl)methyl 1-benzyl-6-oxopyridazine-3-carboxylate

(5-methoxycarbonylfuran-2-yl)methyl 1-benzyl-6-oxopyridazine-3-carboxylate (PubChem CID 2647976) has the molecular formula C19H16N2O6 and a molecular weight of 368.35 g/mol. Its IUPAC name is (5-methoxycarbonylfuran-2-yl)methyl 1-benzyl-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Name(5-methoxycarbonylfuran-2-yl)methyl 1-benzyl-6-oxopyridazine-3-carboxylate
PubChem CID2647976
Molecular FormulaC19H16N2O6
Molecular Weight368.35 g/mol
Exact Mass368.10
IUPAC Name(5-methoxycarbonylfuran-2-yl)methyl 1-benzyl-6-oxopyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)o1
InChIInChI=1S/C19H16N2O6/c1-25-19(24)16-9-7-14(27-16)12-26-18(23)15-8-10-17(22)21(20-15)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKeyULDRLXMIJKVCBO-UHFFFAOYSA-N
XLogP2.03
TPSA100.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl 1-benzyl-6-oxopyridazine-3-carboxylate?
The IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl 1-benzyl-6-oxopyridazine-3-carboxylate (CID 2647976) is (5-methoxycarbonylfuran-2-yl)methyl 1-benzyl-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for (5-methoxycarbonylfuran-2-yl)methyl 1-benzyl-6-oxopyridazine-3-carboxylate?
The canonical SMILES for (5-methoxycarbonylfuran-2-yl)methyl 1-benzyl-6-oxopyridazine-3-carboxylate is COC(=O)c1ccc(COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)o1.
What is the InChIKey of (5-methoxycarbonylfuran-2-yl)methyl 1-benzyl-6-oxopyridazine-3-carboxylate?
The InChIKey is ULDRLXMIJKVCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O6/c1-25-19(24)16-9-7-14(27-16)12-26-18(23)15-8-10-17(22)21(20-15)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3.
What are the key properties of (5-methoxycarbonylfuran-2-yl)methyl 1-benzyl-6-oxopyridazine-3-carboxylate?
(5-methoxycarbonylfuran-2-yl)methyl 1-benzyl-6-oxopyridazine-3-carboxylate has a molecular weight of 368.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxycarbonylfuran-2-yl)methyl 1-benzyl-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 2647976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).