N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide

C25H22ClN3O5 — CID 15993101

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1cc(OC)cc(-n2nc(C(=O)Nc3cc(C)c(Cl)cc3OC)c3ccccc3c2=O)c1
InChIInChI=1S/C25H22ClN3O5/c1-14-9-21(22(34-4)13-20(14)26)27-24(30)23-18-7-5-6-8-19(18)25(31)29(28-23)15-10-16(32-2)12-17(11-15)33-3/h5-13H,1-4H3,(H,27,30)
InChIKeyGURWCAQAHYXLFH-UHFFFAOYSA-N
MW479.92 g/mol
LogP4.63
Rot. Bonds6

About N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide (PubChem CID 15993101) has the molecular formula C25H22ClN3O5 and a molecular weight of 479.92 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide
PubChem CID15993101
Molecular FormulaC25H22ClN3O5
Molecular Weight479.92 g/mol
Exact Mass479.12
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1cc(OC)cc(-n2nc(C(=O)Nc3cc(C)c(Cl)cc3OC)c3ccccc3c2=O)c1
InChIInChI=1S/C25H22ClN3O5/c1-14-9-21(22(34-4)13-20(14)26)27-24(30)23-18-7-5-6-8-19(18)25(31)29(28-23)15-10-16(32-2)12-17(11-15)33-3/h5-13H,1-4H3,(H,27,30)
InChIKeyGURWCAQAHYXLFH-UHFFFAOYSA-N
XLogP4.63
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.92
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26884366
N-(2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2083465
3-(3,5-dimethoxyphenyl)-N-(4-fluorophenyl)-4-oxophthalazine-1-carboxamide
CID 15992156
N-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 3503219
methyl 2-[[3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]acetate
CID 4249551
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 3612931
3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxophthalazine-1-carboxamide
CID 3525076
3-(3-methoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)phthalazine-1-carboxamide
CID 20970744
1-(4-bromophenyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108791549
N,3-bis(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 3490690
N-(3,4-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26364775
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenyltriazole-4-carboxamide
CID 51174918

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide (CID 15993101) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide is COc1cc(OC)cc(-n2nc(C(=O)Nc3cc(C)c(Cl)cc3OC)c3ccccc3c2=O)c1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is GURWCAQAHYXLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O5/c1-14-9-21(22(34-4)13-20(14)26)27-24(30)23-18-7-5-6-8-19(18)25(31)29(28-23)15-10-16(32-2)12-17(11-15)33-3/h5-13H,1-4H3,(H,27,30).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 479.92 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 15993101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).