N-(4-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide

C18H16ClN3O2 — CID 18097739

IUPACN-(4-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCn1ncc(=O)c2ccccc21
InChIInChI=1S/C18H16ClN3O2/c1-12-10-13(19)6-7-15(12)21-18(24)8-9-22-16-5-3-2-4-14(16)17(23)11-20-22/h2-7,10-11H,8-9H2,1H3,(H,21,24)
InChIKeyYNNNFGJESJVCGZ-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.39
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide

N-(4-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide (PubChem CID 18097739) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
PubChem CID18097739
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-(4-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCn1ncc(=O)c2ccccc21
InChIInChI=1S/C18H16ClN3O2/c1-12-10-13(19)6-7-15(12)21-18(24)8-9-22-16-5-3-2-4-14(16)17(23)11-20-22/h2-7,10-11H,8-9H2,1H3,(H,21,24)
InChIKeyYNNNFGJESJVCGZ-UHFFFAOYSA-N
XLogP3.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-iodo-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 55439085
N-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254629
N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 134015345
N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254626
3-fluoro-4-methyl-5-[3-(4-oxocinnolin-1-yl)propanoylamino]benzamide
CID 87001719
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51278884
N-(2-fluoro-5-nitrophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 134022344
N-[2-(4-methylphenoxy)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 51254853
[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 3-(4-oxocinnolin-1-yl)propanoate
CID 55444304
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(4-oxocinnolin-1-yl)propanoate
CID 55444106
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-oxocinnolin-1-yl)propanamide
CID 134015418
3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide (CID 18097739) is N-(4-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide is Cc1cc(Cl)ccc1NC(=O)CCn1ncc(=O)c2ccccc21.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide?
The InChIKey is YNNNFGJESJVCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-12-10-13(19)6-7-15(12)21-18(24)8-9-22-16-5-3-2-4-14(16)17(23)11-20-22/h2-7,10-11H,8-9H2,1H3,(H,21,24).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide?
N-(4-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide has a molecular weight of 341.80 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide is sourced from PubChem (CID 18097739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).