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

C23H19N3O4 — CID 3490690

IUPACN,3-bis(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)c1nn(-c2ccccc2OC)c(=O)c2ccccc12
InChIInChI=1S/C23H19N3O4/c1-29-19-13-7-5-11-17(19)24-22(27)21-15-9-3-4-10-16(15)23(28)26(25-21)18-12-6-8-14-20(18)30-2/h3-14H,1-2H3,(H,24,27)
InChIKeyFHYRLZQPGJHBPT-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.66
Rot. Bonds5

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

N,3-bis(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide (PubChem CID 3490690) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is N,3-bis(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN,3-bis(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
PubChem CID3490690
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC NameN,3-bis(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)c1nn(-c2ccccc2OC)c(=O)c2ccccc12
InChIInChI=1S/C23H19N3O4/c1-29-19-13-7-5-11-17(19)24-22(27)21-15-9-3-4-10-16(15)23(28)26(25-21)18-12-6-8-14-20(18)30-2/h3-14H,1-2H3,(H,24,27)
InChIKeyFHYRLZQPGJHBPT-UHFFFAOYSA-N
XLogP3.66
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[3-(2-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]benzoate
CID 20970753
N-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 3503219
N-cyclohexyl-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 3503216
N-(2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2083465
N-(2-methoxyphenyl)-1-methylindazole-3-carboxamide
CID 110859879
3-(2-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxophthalazine-1-carboxamide
CID 3712402
4-oxo-3-phenyl-N-[2-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide
CID 35202250
N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26884366
benzyl-ethyl-[3-[[3-(2-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]propyl]azanium
CID 4090991
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one
CID 3711758
N-(2-ethoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2591019
N-(3,4-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26364775

Frequently Asked Questions

What is the IUPAC name of N,3-bis(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of N,3-bis(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide (CID 3490690) is N,3-bis(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N,3-bis(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N,3-bis(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide is COc1ccccc1NC(=O)c1nn(-c2ccccc2OC)c(=O)c2ccccc12.
What is the InChIKey of N,3-bis(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is FHYRLZQPGJHBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-29-19-13-7-5-11-17(19)24-22(27)21-15-9-3-4-10-16(15)23(28)26(25-21)18-12-6-8-14-20(18)30-2/h3-14H,1-2H3,(H,24,27).
What are the key properties of N,3-bis(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
N,3-bis(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 401.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 3490690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).