N-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide

C24H21N3O5 — CID 3503219

IUPACN-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(-c3ccccc3OC)c(=O)c3ccccc23)c(OC)c1
InChIInChI=1S/C24H21N3O5/c1-30-15-12-13-18(21(14-15)32-3)25-23(28)22-16-8-4-5-9-17(16)24(29)27(26-22)19-10-6-7-11-20(19)31-2/h4-14H,1-3H3,(H,25,28)
InChIKeyVRDVQUWHUKCPFF-UHFFFAOYSA-N
MW431.45 g/mol
LogP3.66
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide

N-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide (PubChem CID 3503219) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
PubChem CID3503219
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(-c3ccccc3OC)c(=O)c3ccccc23)c(OC)c1
InChIInChI=1S/C24H21N3O5/c1-30-15-12-13-18(21(14-15)32-3)25-23(28)22-16-8-4-5-9-17(16)24(29)27(26-22)19-10-6-7-11-20(19)31-2/h4-14H,1-3H3,(H,25,28)
InChIKeyVRDVQUWHUKCPFF-UHFFFAOYSA-N
XLogP3.66
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,3-bis(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 3490690
methyl 2-[[3-(2-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]benzoate
CID 20970753
N-(2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2083465
3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-4-oxophthalazine-1-carboxamide
CID 3450105
N-cyclohexyl-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 3503216
3-(2,4-dimethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide
CID 20970831
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-(2,4-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 22333997
3-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-4-oxophthalazine-1-carboxamide
CID 3450101
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 15993101
N-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39342674
3-(3-methoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)phthalazine-1-carboxamide
CID 20970744
N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26884366

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide (CID 3503219) is N-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide is COc1ccc(NC(=O)c2nn(-c3ccccc3OC)c(=O)c3ccccc23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is VRDVQUWHUKCPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5/c1-30-15-12-13-18(21(14-15)32-3)25-23(28)22-16-8-4-5-9-17(16)24(29)27(26-22)19-10-6-7-11-20(19)31-2/h4-14H,1-3H3,(H,25,28).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
N-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 431.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 3503219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).