N-methyl-N-naphthalen-2-yl-4-oxo-3-phenylphthalazine-1-carboxamide

C26H19N3O2 — CID 26904232

IUPACN-methyl-N-naphthalen-2-yl-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCN(C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccc2ccccc2c1
InChIInChI=1S/C26H19N3O2/c1-28(21-16-15-18-9-5-6-10-19(18)17-21)26(31)24-22-13-7-8-14-23(22)25(30)29(27-24)20-11-3-2-4-12-20/h2-17H,1H3
InChIKeyOCRBCNDHHABTHZ-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.82
Rot. Bonds3

About N-methyl-N-naphthalen-2-yl-4-oxo-3-phenylphthalazine-1-carboxamide

N-methyl-N-naphthalen-2-yl-4-oxo-3-phenylphthalazine-1-carboxamide (PubChem CID 26904232) has the molecular formula C26H19N3O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-methyl-N-naphthalen-2-yl-4-oxo-3-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-naphthalen-2-yl-4-oxo-3-phenylphthalazine-1-carboxamide
PubChem CID26904232
Molecular FormulaC26H19N3O2
Molecular Weight405.46 g/mol
Exact Mass405.15
IUPAC NameN-methyl-N-naphthalen-2-yl-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESCN(C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccc2ccccc2c1
InChIInChI=1S/C26H19N3O2/c1-28(21-16-15-18-9-5-6-10-19(18)17-21)26(31)24-22-13-7-8-14-23(22)25(30)29(27-24)20-11-3-2-4-12-20/h2-17H,1H3
InChIKeyOCRBCNDHHABTHZ-UHFFFAOYSA-N
XLogP4.82
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-naphthalen-2-yl-4-oxo-3-phenylphthalazine-1-carboxamide?
The IUPAC name of N-methyl-N-naphthalen-2-yl-4-oxo-3-phenylphthalazine-1-carboxamide (CID 26904232) is N-methyl-N-naphthalen-2-yl-4-oxo-3-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-methyl-N-naphthalen-2-yl-4-oxo-3-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-methyl-N-naphthalen-2-yl-4-oxo-3-phenylphthalazine-1-carboxamide is CN(C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccc2ccccc2c1.
What is the InChIKey of N-methyl-N-naphthalen-2-yl-4-oxo-3-phenylphthalazine-1-carboxamide?
The InChIKey is OCRBCNDHHABTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O2/c1-28(21-16-15-18-9-5-6-10-19(18)17-21)26(31)24-22-13-7-8-14-23(22)25(30)29(27-24)20-11-3-2-4-12-20/h2-17H,1H3.
What are the key properties of N-methyl-N-naphthalen-2-yl-4-oxo-3-phenylphthalazine-1-carboxamide?
N-methyl-N-naphthalen-2-yl-4-oxo-3-phenylphthalazine-1-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-naphthalen-2-yl-4-oxo-3-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 26904232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).