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

C21H23FN2O3 — CID 18142585

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCOc1ccc(CN(C)C(=O)CCC2Cc3ccccc3NC2=O)cc1F
InChIInChI=1S/C21H23FN2O3/c1-24(13-14-7-9-19(27-2)17(22)11-14)20(25)10-8-16-12-15-5-3-4-6-18(15)23-21(16)26/h3-7,9,11,16H,8,10,12-13H2,1-2H3,(H,23,26)
InChIKeyGAZDKWMRHMPFEI-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.38
Rot. Bonds6

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

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 18142585) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
PubChem CID18142585
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCOc1ccc(CN(C)C(=O)CCC2Cc3ccccc3NC2=O)cc1F
InChIInChI=1S/C21H23FN2O3/c1-24(13-14-7-9-19(27-2)17(22)11-14)20(25)10-8-16-12-15-5-3-4-6-18(15)23-21(16)26/h3-7,9,11,16H,8,10,12-13H2,1-2H3,(H,23,26)
InChIKeyGAZDKWMRHMPFEI-UHFFFAOYSA-N
XLogP3.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 18142585) is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is COc1ccc(CN(C)C(=O)CCC2Cc3ccccc3NC2=O)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The InChIKey is GAZDKWMRHMPFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-24(13-14-7-9-19(27-2)17(22)11-14)20(25)10-8-16-12-15-5-3-4-6-18(15)23-21(16)26/h3-7,9,11,16H,8,10,12-13H2,1-2H3,(H,23,26).
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 370.42 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 18142585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).