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

C19H21FN2O — CID 109021063

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
SMILESO=C(CCN1CCCc2ccccc21)NCc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O/c20-17-9-7-15(8-10-17)14-21-19(23)11-13-22-12-3-5-16-4-1-2-6-18(16)22/h1-2,4,6-10H,3,5,11-14H2,(H,21,23)
InChIKeyKZKGMUAFRWTRGS-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.28
Rot. Bonds5

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

3-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 109021063) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID109021063
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
SMILESO=C(CCN1CCCc2ccccc21)NCc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O/c20-17-9-7-15(8-10-17)14-21-19(23)11-13-22-12-3-5-16-4-1-2-6-18(16)22/h1-2,4,6-10H,3,5,11-14H2,(H,21,23)
InChIKeyKZKGMUAFRWTRGS-UHFFFAOYSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 109024981
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-(2-fluorophenyl)propanamide
CID 24588519
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 109035071
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 46646494
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 108975831
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
CID 112838221
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)propanamide
CID 24588515
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide
CID 2323657
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propanamide
CID 110342823
1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 109033505

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide (CID 109021063) is 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide is O=C(CCN1CCCc2ccccc21)NCc1ccc(F)cc1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is KZKGMUAFRWTRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c20-17-9-7-15(8-10-17)14-21-19(23)11-13-22-12-3-5-16-4-1-2-6-18(16)22/h1-2,4,6-10H,3,5,11-14H2,(H,21,23).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide?
3-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 312.39 g/mol, XLogP of 3.28, 5 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-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 109021063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).