3-(2-fluorophenyl)-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]propanamide

C20H21FN2O2 — CID 110781694

IUPAC3-(2-fluorophenyl)-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]propanamide
SMILESCN1C(=O)CCc2cc(CNC(=O)CCc3ccccc3F)ccc21
InChIInChI=1S/C20H21FN2O2/c1-23-18-9-6-14(12-16(18)8-11-20(23)25)13-22-19(24)10-7-15-4-2-3-5-17(15)21/h2-6,9,12H,7-8,10-11,13H2,1H3,(H,22,24)
InChIKeyFJBNNFCHWSHKRA-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.98
Rot. Bonds5

About 3-(2-fluorophenyl)-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]propanamide

3-(2-fluorophenyl)-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]propanamide (PubChem CID 110781694) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]propanamide
PubChem CID110781694
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name3-(2-fluorophenyl)-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]propanamide
SMILESCN1C(=O)CCc2cc(CNC(=O)CCc3ccccc3F)ccc21
InChIInChI=1S/C20H21FN2O2/c1-23-18-9-6-14(12-16(18)8-11-20(23)25)13-22-19(24)10-7-15-4-2-3-5-17(15)21/h2-6,9,12H,7-8,10-11,13H2,1H3,(H,22,24)
InChIKeyFJBNNFCHWSHKRA-UHFFFAOYSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide
CID 110781637
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(4-methylphenyl)acetamide
CID 110781697
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 110781704
N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 110788734
2-(2-fluorophenyl)-N-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]acetamide
CID 110783886
N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768263
benzyl N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]carbamate
CID 110781684
3-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 33280259
3-(2-bromophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide
CID 71806539
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
CID 82116153
3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid
CID 82501036
N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-(2-fluorophenyl)propanamide
CID 91788479

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]propanamide (CID 110781694) is 3-(2-fluorophenyl)-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]propanamide is CN1C(=O)CCc2cc(CNC(=O)CCc3ccccc3F)ccc21.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]propanamide?
The InChIKey is FJBNNFCHWSHKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-23-18-9-6-14(12-16(18)8-11-20(23)25)13-22-19(24)10-7-15-4-2-3-5-17(15)21/h2-6,9,12H,7-8,10-11,13H2,1H3,(H,22,24).
What are the key properties of 3-(2-fluorophenyl)-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]propanamide?
3-(2-fluorophenyl)-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]propanamide has a molecular weight of 340.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]propanamide is sourced from PubChem (CID 110781694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).