N-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide

C17H14ClN3O3 — CID 2712877

IUPACN-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)cc1Cl
InChIInChI=1S/C17H14ClN3O3/c1-21-17(23)12-6-4-3-5-11(12)15(20-21)16(22)19-10-7-8-14(24-2)13(18)9-10/h3-9H,1-2H3,(H,19,22)
InChIKeyZNVYVLYRCONHGF-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.85
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide

N-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 2712877) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID2712877
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)cc1Cl
InChIInChI=1S/C17H14ClN3O3/c1-21-17(23)12-6-4-3-5-11(12)15(20-21)16(22)19-10-7-8-14(24-2)13(18)9-10/h3-9H,1-2H3,(H,19,22)
InChIKeyZNVYVLYRCONHGF-UHFFFAOYSA-N
XLogP2.85
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 7942994
N-(3-hydroxy-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 7478751
N-(3-chloro-4-methoxyphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2713554
N-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2666384
N-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2710143
3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-oxophthalazine-1-carboxamide
CID 31508107
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 3612931
N-(3,4-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26364775
N-(3-bromophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 3525242
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 2486593
N-[(3,4-dimethoxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 4848632
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 6218648

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide (CID 2712877) is N-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide is COc1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is ZNVYVLYRCONHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-21-17(23)12-6-4-3-5-11(12)15(20-21)16(22)19-10-7-8-14(24-2)13(18)9-10/h3-9H,1-2H3,(H,19,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
N-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 343.77 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 2712877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).