N,3-dimethyl-N-naphthalen-2-yl-4-oxophthalazine-1-carboxamide

C21H17N3O2 — CID 18270358

IUPACN,3-dimethyl-N-naphthalen-2-yl-4-oxophthalazine-1-carboxamide
SMILESCN(C(=O)c1nn(C)c(=O)c2ccccc12)c1ccc2ccccc2c1
InChIInChI=1S/C21H17N3O2/c1-23(16-12-11-14-7-3-4-8-15(14)13-16)21(26)19-17-9-5-6-10-18(17)20(25)24(2)22-19/h3-13H,1-2H3
InChIKeyXCZFMSXJYRAQJC-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.36
Rot. Bonds2

About N,3-dimethyl-N-naphthalen-2-yl-4-oxophthalazine-1-carboxamide

N,3-dimethyl-N-naphthalen-2-yl-4-oxophthalazine-1-carboxamide (PubChem CID 18270358) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N,3-dimethyl-N-naphthalen-2-yl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-naphthalen-2-yl-4-oxophthalazine-1-carboxamide
PubChem CID18270358
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN,3-dimethyl-N-naphthalen-2-yl-4-oxophthalazine-1-carboxamide
SMILESCN(C(=O)c1nn(C)c(=O)c2ccccc12)c1ccc2ccccc2c1
InChIInChI=1S/C21H17N3O2/c1-23(16-12-11-14-7-3-4-8-15(14)13-16)21(26)19-17-9-5-6-10-18(17)20(25)24(2)22-19/h3-13H,1-2H3
InChIKeyXCZFMSXJYRAQJC-UHFFFAOYSA-N
XLogP3.36
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-naphthalen-2-yl-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26904232
naphthalen-2-yl 3-methyl-4-oxophthalazine-1-carboxylate
CID 2634017
N-methyl-N-naphthalen-2-ylnaphthalene-2-carboxamide
CID 26904267
N,1,3-trimethyl-N-naphthalen-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 51312757
N,1-dimethyl-N-phenylindazole-3-carboxamide
CID 110856917
3-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-4-oxophthalazine-1-carbohydrazide
CID 4805664
3-methyl-N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-oxophthalazine-1-carbohydrazide
CID 7927312
5-amino-N-methyl-N-naphthalen-2-ylthiadiazole-4-carboxamide;hydrochloride
CID 75469410
(6-bromonaphthalen-2-yl) 3-methyl-4-oxophthalazine-1-carboxylate
CID 2634118
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]naphthalene-2-carboxamide
CID 90489965
N,5-dimethyl-N-naphthalen-2-yl-1-phenylpyrazole-3-carboxamide
CID 55757695
N-benzyl-3-methyl-4-oxo-N-propan-2-ylphthalazine-1-carboxamide
CID 18143283

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-naphthalen-2-yl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N,3-dimethyl-N-naphthalen-2-yl-4-oxophthalazine-1-carboxamide (CID 18270358) is N,3-dimethyl-N-naphthalen-2-yl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-naphthalen-2-yl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N,3-dimethyl-N-naphthalen-2-yl-4-oxophthalazine-1-carboxamide is CN(C(=O)c1nn(C)c(=O)c2ccccc12)c1ccc2ccccc2c1.
What is the InChIKey of N,3-dimethyl-N-naphthalen-2-yl-4-oxophthalazine-1-carboxamide?
The InChIKey is XCZFMSXJYRAQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-23(16-12-11-14-7-3-4-8-15(14)13-16)21(26)19-17-9-5-6-10-18(17)20(25)24(2)22-19/h3-13H,1-2H3.
What are the key properties of N,3-dimethyl-N-naphthalen-2-yl-4-oxophthalazine-1-carboxamide?
N,3-dimethyl-N-naphthalen-2-yl-4-oxophthalazine-1-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-naphthalen-2-yl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 18270358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).