4-fluoro-N-[1-[3-(2-fluoroanilino)-3-oxopropyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide

C25H23F2N3O2 — CID 60548756

IUPAC4-fluoro-N-[1-[3-(2-fluoroanilino)-3-oxopropyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
SMILESO=C(CCN1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21)Nc1ccccc1F
InChIInChI=1S/C25H23F2N3O2/c26-18-12-10-17(11-13-18)25(32)29-21-8-3-9-23-19(21)5-4-15-30(23)16-14-24(31)28-22-7-2-1-6-20(22)27/h1-3,6-13H,4-5,14-16H2,(H,28,31)(H,29,32)
InChIKeyCRCZVVHADOPEGO-UHFFFAOYSA-N
MW435.47 g/mol
LogP5.00
Rot. Bonds6

About 4-fluoro-N-[1-[3-(2-fluoroanilino)-3-oxopropyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide

4-fluoro-N-[1-[3-(2-fluoroanilino)-3-oxopropyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide (PubChem CID 60548756) has the molecular formula C25H23F2N3O2 and a molecular weight of 435.47 g/mol. Its IUPAC name is 4-fluoro-N-[1-[3-(2-fluoroanilino)-3-oxopropyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[3-(2-fluoroanilino)-3-oxopropyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
PubChem CID60548756
Molecular FormulaC25H23F2N3O2
Molecular Weight435.47 g/mol
Exact Mass435.18
IUPAC Name4-fluoro-N-[1-[3-(2-fluoroanilino)-3-oxopropyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
SMILESO=C(CCN1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21)Nc1ccccc1F
InChIInChI=1S/C25H23F2N3O2/c26-18-12-10-17(11-13-18)25(32)29-21-8-3-9-23-19(21)5-4-15-30(23)16-14-24(31)28-22-7-2-1-6-20(22)27/h1-3,6-13H,4-5,14-16H2,(H,28,31)(H,29,32)
InChIKeyCRCZVVHADOPEGO-UHFFFAOYSA-N
XLogP5.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)propanamide
CID 24588519
4-fluoro-N-[1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 60548636
N-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
CID 55978500
N-(1-butanoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
CID 52725585
4-fluoro-N-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 60548479
N-[1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 60548513
N-[1-(2,4-difluorobenzoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55978757
3-[5-(methanesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 56525211
N-[1-(4-ethoxybutanoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55977616
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 109035071
N-[1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 60548953
4-fluoro-N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 60548822

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[3-(2-fluoroanilino)-3-oxopropyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-[3-(2-fluoroanilino)-3-oxopropyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide (CID 60548756) is 4-fluoro-N-[1-[3-(2-fluoroanilino)-3-oxopropyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-[3-(2-fluoroanilino)-3-oxopropyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-[3-(2-fluoroanilino)-3-oxopropyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide is O=C(CCN1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21)Nc1ccccc1F.
What is the InChIKey of 4-fluoro-N-[1-[3-(2-fluoroanilino)-3-oxopropyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide?
The InChIKey is CRCZVVHADOPEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O2/c26-18-12-10-17(11-13-18)25(32)29-21-8-3-9-23-19(21)5-4-15-30(23)16-14-24(31)28-22-7-2-1-6-20(22)27/h1-3,6-13H,4-5,14-16H2,(H,28,31)(H,29,32).
What are the key properties of 4-fluoro-N-[1-[3-(2-fluoroanilino)-3-oxopropyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide?
4-fluoro-N-[1-[3-(2-fluoroanilino)-3-oxopropyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide has a molecular weight of 435.47 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[3-(2-fluoroanilino)-3-oxopropyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide is sourced from PubChem (CID 60548756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).