N-cyclohexyl-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide

C22H23N3O3 — CID 3503216

IUPACN-cyclohexyl-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1ccccc1-n1nc(C(=O)NC2CCCCC2)c2ccccc2c1=O
InChIInChI=1S/C22H23N3O3/c1-28-19-14-8-7-13-18(19)25-22(27)17-12-6-5-11-16(17)20(24-25)21(26)23-15-9-3-2-4-10-15/h5-8,11-15H,2-4,9-10H2,1H3,(H,23,26)
InChIKeyGIARHTFERRPFMM-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.46
Rot. Bonds4

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

N-cyclohexyl-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide (PubChem CID 3503216) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-cyclohexyl-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
PubChem CID3503216
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-cyclohexyl-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1ccccc1-n1nc(C(=O)NC2CCCCC2)c2ccccc2c1=O
InChIInChI=1S/C22H23N3O3/c1-28-19-14-8-7-13-18(19)25-22(27)17-12-6-5-11-16(17)20(24-25)21(26)23-15-9-3-2-4-10-15/h5-8,11-15H,2-4,9-10H2,1H3,(H,23,26)
InChIKeyGIARHTFERRPFMM-UHFFFAOYSA-N
XLogP3.46
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,3-bis(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 3490690
N-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 3503219
N-[3-(2-ethylpiperidin-1-yl)propyl]-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 20970821
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(2-methoxyphenyl)phthalazin-1-one
CID 3711758
methyl 2-[[3-(2-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]benzoate
CID 20970753
3-(2-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4-oxophthalazine-1-carboxamide
CID 3712402
benzyl-ethyl-[3-[[3-(2-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]propyl]azanium
CID 4090991
3-benzyl-N-cyclohexyl-4-oxophthalazine-1-carboxamide
CID 4811377
3-(2,4-dimethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide
CID 20970831
3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-4-oxophthalazine-1-carboxamide
CID 3450105
N-cyclopropyl-1-(2-methoxyphenyl)imidazole-4-carboxamide
CID 166264438
N-[(1R,2R)-2-methylcyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2107436

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide (CID 3503216) is N-cyclohexyl-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide is COc1ccccc1-n1nc(C(=O)NC2CCCCC2)c2ccccc2c1=O.
What is the InChIKey of N-cyclohexyl-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is GIARHTFERRPFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-28-19-14-8-7-13-18(19)25-22(27)17-12-6-5-11-16(17)20(24-25)21(26)23-15-9-3-2-4-10-15/h5-8,11-15H,2-4,9-10H2,1H3,(H,23,26).
What are the key properties of N-cyclohexyl-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
N-cyclohexyl-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(2-methoxyphenyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 3503216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).