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

C19H22N4O5S — CID 121398122

IUPAC1-ethoxy-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide
SMILESCCOc1nn(Cc2cc(C)no2)c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc12
InChIInChI=1S/C19H22N4O5S/c1-4-27-17-15-6-5-14(29(25,26)22-19(3)7-8-19)10-16(15)18(24)23(20-17)11-13-9-12(2)21-28-13/h5-6,9-10,22H,4,7-8,11H2,1-3H3
InChIKeyQSNKQTJTFJHROM-UHFFFAOYSA-N
MW418.48 g/mol
LogP1.97
Rot. Bonds7

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

1-ethoxy-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide (PubChem CID 121398122) has the molecular formula C19H22N4O5S and a molecular weight of 418.48 g/mol. Its IUPAC name is 1-ethoxy-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide.

Molecular Properties

Compound Name1-ethoxy-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide
PubChem CID121398122
Molecular FormulaC19H22N4O5S
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC Name1-ethoxy-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide
SMILESCCOc1nn(Cc2cc(C)no2)c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc12
InChIInChI=1S/C19H22N4O5S/c1-4-27-17-15-6-5-14(29(25,26)22-19(3)7-8-19)10-16(15)18(24)23(20-17)11-13-9-12(2)21-28-13/h5-6,9-10,22H,4,7-8,11H2,1-3H3
InChIKeyQSNKQTJTFJHROM-UHFFFAOYSA-N
XLogP1.97
TPSA116.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-ethoxy-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-benzyl-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide
CID 121398619
4-(cyclopropanecarbonyl)-N-(1-methylcyclopropyl)-2-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-oxoisoquinoline-7-sulfonamide
CID 121398327
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
tert-butyl N-[5-[[1-methyl-6-[(1-methylcyclopropyl)sulfamoyl]-2,4-dioxoquinazolin-3-yl]methyl]-1,2-oxazol-3-yl]carbamate
CID 121398555
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398113
N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 121398394
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
4-ethoxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide
CID 90537808

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide?
The IUPAC name of 1-ethoxy-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide (CID 121398122) is 1-ethoxy-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide.
What is the SMILES notation for 1-ethoxy-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide?
The canonical SMILES for 1-ethoxy-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide is CCOc1nn(Cc2cc(C)no2)c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc12.
What is the InChIKey of 1-ethoxy-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide?
The InChIKey is QSNKQTJTFJHROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S/c1-4-27-17-15-6-5-14(29(25,26)22-19(3)7-8-19)10-16(15)18(24)23(20-17)11-13-9-12(2)21-28-13/h5-6,9-10,22H,4,7-8,11H2,1-3H3.
What are the key properties of 1-ethoxy-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide?
1-ethoxy-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide has a molecular weight of 418.48 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxophthalazine-6-sulfonamide is sourced from PubChem (CID 121398122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).