1-benzyl-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide

C24H24N4O4S — CID 121398619

IUPAC1-benzyl-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide
SMILESCc1cc(Cn2nc(Cc3ccccc3)c3ccc(S(=O)(=O)NC4(C)CC4)cc3c2=O)on1
InChIInChI=1S/C24H24N4O4S/c1-16-12-18(32-26-16)15-28-23(29)21-14-19(33(30,31)27-24(2)10-11-24)8-9-20(21)22(25-28)13-17-6-4-3-5-7-17/h3-9,12,14,27H,10-11,13,15H2,1-2H3
InChIKeyWQMVLRNWMAMWNL-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.16
Rot. Bonds7

About 1-benzyl-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide

1-benzyl-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide (PubChem CID 121398619) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is 1-benzyl-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide.

Molecular Properties

Compound Name1-benzyl-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide
PubChem CID121398619
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC Name1-benzyl-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide
SMILESCc1cc(Cn2nc(Cc3ccccc3)c3ccc(S(=O)(=O)NC4(C)CC4)cc3c2=O)on1
InChIInChI=1S/C24H24N4O4S/c1-16-12-18(32-26-16)15-28-23(29)21-14-19(33(30,31)27-24(2)10-11-24)8-9-20(21)22(25-28)13-17-6-4-3-5-7-17/h3-9,12,14,27H,10-11,13,15H2,1-2H3
InChIKeyWQMVLRNWMAMWNL-UHFFFAOYSA-N
XLogP3.16
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-benzyl-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide with MolForge

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Related Compounds

1-ethoxy-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide
CID 121398122
4-(cyclopropanecarbonyl)-N-(1-methylcyclopropyl)-2-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-oxoisoquinoline-7-sulfonamide
CID 121398327
7-benzylsulfanyl-4-[(3-methoxyphenyl)methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methyl]phthalazin-1-one
CID 121398521
N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,4-dioxo-1-[(4-oxocyclohexyl)methyl]quinazoline-6-sulfonamide
CID 121398694
1-[(3,3-dimethylcyclobutyl)methyl]-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398868
1-(azetidin-3-ylmethyl)-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398425
N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398242
[5-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-[(1-methylcyclopropyl)sulfamoyl]-2,4-dioxoquinazolin-3-yl]methyl]-1,2-oxazol-3-yl]carbamic acid
CID 121398902
1-benzyl-3-ethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398750
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398113
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-[1-(fluoromethyl)cyclopropyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398909
N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 121398394

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide?
The IUPAC name of 1-benzyl-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide (CID 121398619) is 1-benzyl-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide.
What is the SMILES notation for 1-benzyl-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide?
The canonical SMILES for 1-benzyl-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide is Cc1cc(Cn2nc(Cc3ccccc3)c3ccc(S(=O)(=O)NC4(C)CC4)cc3c2=O)on1.
What is the InChIKey of 1-benzyl-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide?
The InChIKey is WQMVLRNWMAMWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-16-12-18(32-26-16)15-28-23(29)21-14-19(33(30,31)27-24(2)10-11-24)8-9-20(21)22(25-28)13-17-6-4-3-5-7-17/h3-9,12,14,27H,10-11,13,15H2,1-2H3.
What are the key properties of 1-benzyl-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide?
1-benzyl-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide has a molecular weight of 464.55 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide is sourced from PubChem (CID 121398619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).