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

C19H19FN2O2 — CID 3606278

IUPACN-[(4-fluorophenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide
SMILESO=C(CCC1CC(=O)Nc2ccccc21)NCc1ccc(F)cc1
InChIInChI=1S/C19H19FN2O2/c20-15-8-5-13(6-9-15)12-21-18(23)10-7-14-11-19(24)22-17-4-2-1-3-16(14)17/h1-6,8-9,14H,7,10-12H2,(H,21,23)(H,22,24)
InChIKeyPGQCPRQUOLNANV-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.35
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide (PubChem CID 3606278) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide
PubChem CID3606278
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide
SMILESO=C(CCC1CC(=O)Nc2ccccc21)NCc1ccc(F)cc1
InChIInChI=1S/C19H19FN2O2/c20-15-8-5-13(6-9-15)12-21-18(23)10-7-14-11-19(24)22-17-4-2-1-3-16(14)17/h1-6,8-9,14H,7,10-12H2,(H,21,23)(H,22,24)
InChIKeyPGQCPRQUOLNANV-UHFFFAOYSA-N
XLogP3.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide (CID 3606278) is N-[(4-fluorophenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide is O=C(CCC1CC(=O)Nc2ccccc21)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide?
The InChIKey is PGQCPRQUOLNANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-15-8-5-13(6-9-15)12-21-18(23)10-7-14-11-19(24)22-17-4-2-1-3-16(14)17/h1-6,8-9,14H,7,10-12H2,(H,21,23)(H,22,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide?
N-[(4-fluorophenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide has a molecular weight of 326.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)propanamide is sourced from PubChem (CID 3606278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).