N-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide

C18H13F2N3O2 — CID 108956736

IUPACN-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide
SMILESO=C(CC(=O)Nc1cccc2cccnc12)Nc1ccc(F)cc1F
InChIInChI=1S/C18H13F2N3O2/c19-12-6-7-14(13(20)9-12)22-16(24)10-17(25)23-15-5-1-3-11-4-2-8-21-18(11)15/h1-9H,10H2,(H,22,24)(H,23,25)
InChIKeyKZIHYKKYAPRFJL-UHFFFAOYSA-N
MW341.32 g/mol
LogP3.48
Rot. Bonds4

About N-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide

N-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide (PubChem CID 108956736) has the molecular formula C18H13F2N3O2 and a molecular weight of 341.32 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide
PubChem CID108956736
Molecular FormulaC18H13F2N3O2
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC NameN-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide
SMILESO=C(CC(=O)Nc1cccc2cccnc12)Nc1ccc(F)cc1F
InChIInChI=1S/C18H13F2N3O2/c19-12-6-7-14(13(20)9-12)22-16(24)10-17(25)23-15-5-1-3-11-4-2-8-21-18(11)15/h1-9H,10H2,(H,22,24)(H,23,25)
InChIKeyKZIHYKKYAPRFJL-UHFFFAOYSA-N
XLogP3.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluorophenyl)-N-quinolin-8-ylacetamide
CID 17466971
2-[acetyl(quinolin-8-yl)amino]-N-(2,4-difluorophenyl)acetamide
CID 113178774
2-(5-fluoro-2-methoxyphenyl)-N-quinolin-8-ylacetamide
CID 110767221
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
2-(4-fluorophenoxy)-N-quinolin-8-ylacetamide
CID 17443973
6-(2,4-difluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109164851
N-(4-chloro-2-fluorophenyl)-2-quinolin-8-ylacetamide
CID 24663705
4-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846864
N'-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956077
2-[3-[2-(2,4-difluorophenyl)-2-oxoethyl]imidazol-3-ium-1-yl]-N-quinolin-8-ylacetamide
CID 165417027
2-(4-hydroxyphenyl)-N-quinolin-8-ylacetamide
CID 78837371
N-cyclopentyl-N'-quinolin-8-ylpropanediamide
CID 108942283

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide?
The IUPAC name of N-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide (CID 108956736) is N-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide?
The canonical SMILES for N-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide is O=C(CC(=O)Nc1cccc2cccnc12)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide?
The InChIKey is KZIHYKKYAPRFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O2/c19-12-6-7-14(13(20)9-12)22-16(24)10-17(25)23-15-5-1-3-11-4-2-8-21-18(11)15/h1-9H,10H2,(H,22,24)(H,23,25).
What are the key properties of N-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide?
N-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide has a molecular weight of 341.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide is sourced from PubChem (CID 108956736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).