3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide

C20H23FN2O — CID 109024981

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESO=C(CCN1CCCc2ccccc21)NCCc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O/c21-18-9-7-16(8-10-18)11-13-22-20(24)12-15-23-14-3-5-17-4-1-2-6-19(17)23/h1-2,4,6-10H,3,5,11-15H2,(H,22,24)
InChIKeyDMFRJNLITOOFSK-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.33
Rot. Bonds6

About 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide

3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 109024981) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID109024981
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESO=C(CCN1CCCc2ccccc21)NCCc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O/c21-18-9-7-16(8-10-18)11-13-22-20(24)12-15-23-14-3-5-17-4-1-2-6-19(17)23/h1-2,4,6-10H,3,5,11-15H2,(H,22,24)
InChIKeyDMFRJNLITOOFSK-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2548699
3-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 109021063
N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 2548635
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)propanamide
CID 24588519
N-[2-(4-fluorophenyl)ethyl]-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)acetamide
CID 119920994
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 109035071
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-phenylpentanamide
CID 110301318
N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]-3-(4-fluorophenyl)propanamide
CID 110729912
3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 2712696
N-[2-(4-fluorophenyl)ethyl]-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109024942
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide
CID 2323657
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)propanamide
CID 24588515

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 109024981) is 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide is O=C(CCN1CCCc2ccccc21)NCCc1ccc(F)cc1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is DMFRJNLITOOFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c21-18-9-7-16(8-10-18)11-13-22-20(24)12-15-23-14-3-5-17-4-1-2-6-19(17)23/h1-2,4,6-10H,3,5,11-15H2,(H,22,24).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide?
3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 326.42 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 109024981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).