3-fluoro-4-methyl-5-[3-(4-oxocinnolin-1-yl)propanoylamino]benzamide

C19H17FN4O3 — CID 87001719

IUPAC3-fluoro-4-methyl-5-[3-(4-oxocinnolin-1-yl)propanoylamino]benzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)CCn1ncc(=O)c2ccccc21
InChIInChI=1S/C19H17FN4O3/c1-11-14(20)8-12(19(21)27)9-15(11)23-18(26)6-7-24-16-5-3-2-4-13(16)17(25)10-22-24/h2-5,8-10H,6-7H2,1H3,(H2,21,27)(H,23,26)
InChIKeyHNCWWCQGOMYJJR-UHFFFAOYSA-N
MW368.37 g/mol
LogP1.97
Rot. Bonds5

About 3-fluoro-4-methyl-5-[3-(4-oxocinnolin-1-yl)propanoylamino]benzamide

3-fluoro-4-methyl-5-[3-(4-oxocinnolin-1-yl)propanoylamino]benzamide (PubChem CID 87001719) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is 3-fluoro-4-methyl-5-[3-(4-oxocinnolin-1-yl)propanoylamino]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-5-[3-(4-oxocinnolin-1-yl)propanoylamino]benzamide
PubChem CID87001719
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name3-fluoro-4-methyl-5-[3-(4-oxocinnolin-1-yl)propanoylamino]benzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)CCn1ncc(=O)c2ccccc21
InChIInChI=1S/C19H17FN4O3/c1-11-14(20)8-12(19(21)27)9-15(11)23-18(26)6-7-24-16-5-3-2-4-13(16)17(25)10-22-24/h2-5,8-10H,6-7H2,1H3,(H2,21,27)(H,23,26)
InChIKeyHNCWWCQGOMYJJR-UHFFFAOYSA-N
XLogP1.97
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097739
N-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254629
N-(4-iodo-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 55439085
N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254626
N-(2-fluoro-5-nitrophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 134022344
N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 134015345
N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097698
N-[2-(4-methylphenoxy)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 51254853
3-(4-oxocinnolin-1-yl)propanamide
CID 47123782
3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
2-fluoro-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide
CID 51255034
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51278884

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-5-[3-(4-oxocinnolin-1-yl)propanoylamino]benzamide?
The IUPAC name of 3-fluoro-4-methyl-5-[3-(4-oxocinnolin-1-yl)propanoylamino]benzamide (CID 87001719) is 3-fluoro-4-methyl-5-[3-(4-oxocinnolin-1-yl)propanoylamino]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-5-[3-(4-oxocinnolin-1-yl)propanoylamino]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-5-[3-(4-oxocinnolin-1-yl)propanoylamino]benzamide is Cc1c(F)cc(C(N)=O)cc1NC(=O)CCn1ncc(=O)c2ccccc21.
What is the InChIKey of 3-fluoro-4-methyl-5-[3-(4-oxocinnolin-1-yl)propanoylamino]benzamide?
The InChIKey is HNCWWCQGOMYJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-11-14(20)8-12(19(21)27)9-15(11)23-18(26)6-7-24-16-5-3-2-4-13(16)17(25)10-22-24/h2-5,8-10H,6-7H2,1H3,(H2,21,27)(H,23,26).
What are the key properties of 3-fluoro-4-methyl-5-[3-(4-oxocinnolin-1-yl)propanoylamino]benzamide?
3-fluoro-4-methyl-5-[3-(4-oxocinnolin-1-yl)propanoylamino]benzamide has a molecular weight of 368.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-5-[3-(4-oxocinnolin-1-yl)propanoylamino]benzamide is sourced from PubChem (CID 87001719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).