N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide

C22H23N3O4 — CID 33078983

IUPACN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(OC)c(CN(C(=O)c2nn(C)c(=O)c3ccccc23)C2CC2)c1
InChIInChI=1S/C22H23N3O4/c1-24-21(26)18-7-5-4-6-17(18)20(23-24)22(27)25(15-8-9-15)13-14-12-16(28-2)10-11-19(14)29-3/h4-7,10-12,15H,8-9,13H2,1-3H3
InChIKeyTZSXVLQNMVSFDS-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.76
Rot. Bonds6

About N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 33078983) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID33078983
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(OC)c(CN(C(=O)c2nn(C)c(=O)c3ccccc23)C2CC2)c1
InChIInChI=1S/C22H23N3O4/c1-24-21(26)18-7-5-4-6-17(18)20(23-24)22(27)25(15-8-9-15)13-14-12-16(28-2)10-11-19(14)29-3/h4-7,10-12,15H,8-9,13H2,1-3H3
InChIKeyTZSXVLQNMVSFDS-UHFFFAOYSA-N
XLogP2.76
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-3-methyl-4-oxo-N-[(4-propan-2-ylphenyl)methyl]phthalazine-1-carboxamide
CID 31784547
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 33078186
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-oxochromene-2-carboxamide
CID 33078382
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 33082416
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(trifluoromethyl)benzamide
CID 47024721
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 33081027
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866028
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2,4-difluorobenzamide
CID 33078367
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide
CID 33078482
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide
CID 52574681
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 33078253
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]pyridine-4-carboxylic acid
CID 122055177

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide (CID 33078983) is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide is COc1ccc(OC)c(CN(C(=O)c2nn(C)c(=O)c3ccccc23)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is TZSXVLQNMVSFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-24-21(26)18-7-5-4-6-17(18)20(23-24)22(27)25(15-8-9-15)13-14-12-16(28-2)10-11-19(14)29-3/h4-7,10-12,15H,8-9,13H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide?
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 33078983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).