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

C18H16ClN3O2 — CID 51254629

IUPACN-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCn1ncc(=O)c2ccccc21
InChIInChI=1S/C18H16ClN3O2/c1-12-14(19)6-4-7-15(12)21-18(24)9-10-22-16-8-3-2-5-13(16)17(23)11-20-22/h2-8,11H,9-10H2,1H3,(H,21,24)
InChIKeySLAKCJGRMORNOQ-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.39
Rot. Bonds4

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

N-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide (PubChem CID 51254629) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
PubChem CID51254629
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCn1ncc(=O)c2ccccc21
InChIInChI=1S/C18H16ClN3O2/c1-12-14(19)6-4-7-15(12)21-18(24)9-10-22-16-8-3-2-5-13(16)17(23)11-20-22/h2-8,11H,9-10H2,1H3,(H,21,24)
InChIKeySLAKCJGRMORNOQ-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-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097739
N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
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N-[2-(4-methylphenoxy)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 51254853
N-(4-iodo-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 55439085
N-(3-chloro-2-methylphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19551954
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51278884
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
3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097698
N-(3-chloro-2-methylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
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CID 20885235

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide (CID 51254629) is N-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide is Cc1c(Cl)cccc1NC(=O)CCn1ncc(=O)c2ccccc21.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide?
The InChIKey is SLAKCJGRMORNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-12-14(19)6-4-7-15(12)21-18(24)9-10-22-16-8-3-2-5-13(16)17(23)11-20-22/h2-8,11H,9-10H2,1H3,(H,21,24).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide?
N-(3-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-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide is sourced from PubChem (CID 51254629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).