3-(3-fluorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide

C20H19FN2O2 — CID 110414954

IUPAC3-(3-fluorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCc1ccc2[nH]c(=O)c(CNC(=O)CCc3cccc(F)c3)cc2c1
InChIInChI=1S/C20H19FN2O2/c1-13-5-7-18-15(9-13)11-16(20(25)23-18)12-22-19(24)8-6-14-3-2-4-17(21)10-14/h2-5,7,9-11H,6,8,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyQPPVINZRZUXYPL-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.22
Rot. Bonds5

About 3-(3-fluorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide

3-(3-fluorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide (PubChem CID 110414954) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
PubChem CID110414954
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name3-(3-fluorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCc1ccc2[nH]c(=O)c(CNC(=O)CCc3cccc(F)c3)cc2c1
InChIInChI=1S/C20H19FN2O2/c1-13-5-7-18-15(9-13)11-16(20(25)23-18)12-22-19(24)8-6-14-3-2-4-17(21)10-14/h2-5,7,9-11H,6,8,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyQPPVINZRZUXYPL-UHFFFAOYSA-N
XLogP3.22
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331277
4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpentanamide
CID 110414901
3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 110390084
3-(1,3-dioxoisoindol-2-yl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110324668
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide
CID 110331249
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 110331634
N-(3-fluorophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390165
3-[[(3-fluorophenyl)methyl-(3-hydroxypropyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 5047481
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(4-methylphenyl)propanamide
CID 110331250
1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea
CID 110414626
N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331627
3-(3-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide
CID 110730389

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide (CID 110414954) is 3-(3-fluorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide is Cc1ccc2[nH]c(=O)c(CNC(=O)CCc3cccc(F)c3)cc2c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The InChIKey is QPPVINZRZUXYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-13-5-7-18-15(9-13)11-16(20(25)23-18)12-22-19(24)8-6-14-3-2-4-17(21)10-14/h2-5,7,9-11H,6,8,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 3-(3-fluorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
3-(3-fluorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide has a molecular weight of 338.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide is sourced from PubChem (CID 110414954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).