N-methyl-N-naphthalen-2-yl-2-(4-oxocinnolin-1-yl)acetamide

C21H17N3O2 — CID 134012541

IUPACN-methyl-N-naphthalen-2-yl-2-(4-oxocinnolin-1-yl)acetamide
SMILESCN(C(=O)Cn1ncc(=O)c2ccccc21)c1ccc2ccccc2c1
InChIInChI=1S/C21H17N3O2/c1-23(17-11-10-15-6-2-3-7-16(15)12-17)21(26)14-24-19-9-5-4-8-18(19)20(25)13-22-24/h2-13H,14H2,1H3
InChIKeyMOWMZXRQQNEPOH-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.21
Rot. Bonds3

About N-methyl-N-naphthalen-2-yl-2-(4-oxocinnolin-1-yl)acetamide

N-methyl-N-naphthalen-2-yl-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 134012541) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-methyl-N-naphthalen-2-yl-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-naphthalen-2-yl-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID134012541
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-methyl-N-naphthalen-2-yl-2-(4-oxocinnolin-1-yl)acetamide
SMILESCN(C(=O)Cn1ncc(=O)c2ccccc21)c1ccc2ccccc2c1
InChIInChI=1S/C21H17N3O2/c1-23(17-11-10-15-6-2-3-7-16(15)12-17)21(26)14-24-19-9-5-4-8-18(19)20(25)13-22-24/h2-13H,14H2,1H3
InChIKeyMOWMZXRQQNEPOH-UHFFFAOYSA-N
XLogP3.21
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.21
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-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-methyl-N-naphthalen-2-yl-2-(4-oxocinnolin-1-yl)acetamide (CID 134012541) is N-methyl-N-naphthalen-2-yl-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-naphthalen-2-yl-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-methyl-N-naphthalen-2-yl-2-(4-oxocinnolin-1-yl)acetamide is CN(C(=O)Cn1ncc(=O)c2ccccc21)c1ccc2ccccc2c1.
What is the InChIKey of N-methyl-N-naphthalen-2-yl-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is MOWMZXRQQNEPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-23(17-11-10-15-6-2-3-7-16(15)12-17)21(26)14-24-19-9-5-4-8-18(19)20(25)13-22-24/h2-13H,14H2,1H3.
What are the key properties of N-methyl-N-naphthalen-2-yl-2-(4-oxocinnolin-1-yl)acetamide?
N-methyl-N-naphthalen-2-yl-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 343.39 g/mol, XLogP of 3.21, 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-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 134012541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).