N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide

C19H18ClN3O2 — CID 86925735

IUPACN-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C19H18ClN3O2/c1-13(14-7-3-5-9-16(14)20)22(2)19(25)12-23-17-10-6-4-8-15(17)18(24)11-21-23/h3-11,13H,12H2,1-2H3
InChIKeyAMPJMULLENVJFD-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.27
Rot. Bonds4

About N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide

N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 86925735) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID86925735
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C19H18ClN3O2/c1-13(14-7-3-5-9-16(14)20)22(2)19(25)12-23-17-10-6-4-8-15(17)18(24)11-21-23/h3-11,13H,12H2,1-2H3
InChIKeyAMPJMULLENVJFD-UHFFFAOYSA-N
XLogP3.27
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 95763026
N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 47118864
2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 9089700
N-ethyl-N-(2-hydroxyethyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 78855476
2-(4-oxocinnolin-1-yl)acetate
CID 7131157
N-methyl-N-naphthalen-2-yl-2-(4-oxocinnolin-1-yl)acetamide
CID 134012541
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 60557343
1-(2-oxopentyl)cinnolin-4-one
CID 62043361
N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 9093214
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 9406480
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 46588611

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide (CID 86925735) is N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide is CC(c1ccccc1Cl)N(C)C(=O)Cn1ncc(=O)c2ccccc21.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is AMPJMULLENVJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-13(14-7-3-5-9-16(14)20)22(2)19(25)12-23-17-10-6-4-8-15(17)18(24)11-21-23/h3-11,13H,12H2,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide?
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 355.83 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 86925735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).