N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]furan-2-carboxamide

C17H17N3O4 — CID 121048633

IUPACN-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]furan-2-carboxamide
SMILESCOCCn1nc(CNC(=O)c2ccco2)c2ccccc2c1=O
InChIInChI=1S/C17H17N3O4/c1-23-10-8-20-17(22)13-6-3-2-5-12(13)14(19-20)11-18-16(21)15-7-4-9-24-15/h2-7,9H,8,10-11H2,1H3,(H,18,21)
InChIKeyAJBPYVDMKQYJRG-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.57
Rot. Bonds6

About N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]furan-2-carboxamide

N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]furan-2-carboxamide (PubChem CID 121048633) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]furan-2-carboxamide
PubChem CID121048633
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]furan-2-carboxamide
SMILESCOCCn1nc(CNC(=O)c2ccco2)c2ccccc2c1=O
InChIInChI=1S/C17H17N3O4/c1-23-10-8-20-17(22)13-6-3-2-5-12(13)14(19-20)11-18-16(21)15-7-4-9-24-15/h2-7,9H,8,10-11H2,1H3,(H,18,21)
InChIKeyAJBPYVDMKQYJRG-UHFFFAOYSA-N
XLogP1.57
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea
CID 121048741
methyl 2-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methylcarbamoyl]benzoate
CID 121048641
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-methylpropanamide
CID 121048510
N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]furan-2-carboxamide
CID 121049617
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]cyclopropanecarboxamide
CID 121048517
ethyl 2-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methylamino]-2-oxoacetate
CID 121048529
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-2-phenoxyacetamide
CID 121048595
2-(1,2-benzoxazol-3-yl)-N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]acetamide
CID 121048484
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-4-oxo-4-phenylbutanamide
CID 121048455
1-benzhydryl-3-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]urea
CID 121048755
3-(dimethylamino)-N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]benzamide
CID 121048691
5-bromo-2-chloro-N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]benzamide
CID 121048573

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]furan-2-carboxamide (CID 121048633) is N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]furan-2-carboxamide is COCCn1nc(CNC(=O)c2ccco2)c2ccccc2c1=O.
What is the InChIKey of N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]furan-2-carboxamide?
The InChIKey is AJBPYVDMKQYJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-23-10-8-20-17(22)13-6-3-2-5-12(13)14(19-20)11-18-16(21)15-7-4-9-24-15/h2-7,9H,8,10-11H2,1H3,(H,18,21).
What are the key properties of N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]furan-2-carboxamide?
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]furan-2-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 121048633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).