3-fluoro-4-methyl-N-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]ethyl]benzamide

C22H24FN3O3 — CID 134039456

IUPAC3-fluoro-4-methyl-N-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC(=O)CCC2Cc3ccccc3NC2=O)cc1F
InChIInChI=1S/C22H24FN3O3/c1-14-6-7-17(13-18(14)23)21(28)25-11-10-24-20(27)9-8-16-12-15-4-2-3-5-19(15)26-22(16)29/h2-7,13,16H,8-12H2,1H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyDUXVPKGJUURLET-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.57
Rot. Bonds7

About 3-fluoro-4-methyl-N-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]ethyl]benzamide

3-fluoro-4-methyl-N-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]ethyl]benzamide (PubChem CID 134039456) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]ethyl]benzamide
PubChem CID134039456
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name3-fluoro-4-methyl-N-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC(=O)CCC2Cc3ccccc3NC2=O)cc1F
InChIInChI=1S/C22H24FN3O3/c1-14-6-7-17(13-18(14)23)21(28)25-11-10-24-20(27)9-8-16-12-15-4-2-3-5-19(15)26-22(16)29/h2-7,13,16H,8-12H2,1H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyDUXVPKGJUURLET-UHFFFAOYSA-N
XLogP2.57
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-fluoro-4-methyl-N-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]ethyl]benzamide with MolForge

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Related Compounds

N-(3-fluoro-4-methylphenyl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26026495
N-(3-fluoro-4-methylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 42933936
N-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119383150
N-(2-hydroxyethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78839484
N-[(2-fluorophenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16621979
N-(3-hydroxypropyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78854593
N-[3-(methylamino)propyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119430985
N-[2-(cycloheptylamino)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 119619916
methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate
CID 134051213
3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 24633457
N-[2-(1-adamantyl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18142430
N-[2-(4-methoxyphenyl)ethyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 51537762

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]ethyl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]ethyl]benzamide (CID 134039456) is 3-fluoro-4-methyl-N-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]ethyl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]ethyl]benzamide is Cc1ccc(C(=O)NCCNC(=O)CCC2Cc3ccccc3NC2=O)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]ethyl]benzamide?
The InChIKey is DUXVPKGJUURLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-14-6-7-17(13-18(14)23)21(28)25-11-10-24-20(27)9-8-16-12-15-4-2-3-5-19(15)26-22(16)29/h2-7,13,16H,8-12H2,1H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of 3-fluoro-4-methyl-N-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]ethyl]benzamide?
3-fluoro-4-methyl-N-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]ethyl]benzamide has a molecular weight of 397.45 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]ethyl]benzamide is sourced from PubChem (CID 134039456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).