N-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide

C20H19FN2O2 — CID 110331083

IUPACN-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1cccc2cc(CCC(=O)NCc3ccccc3F)c(=O)[nH]c12
InChIInChI=1S/C20H19FN2O2/c1-13-5-4-7-14-11-15(20(25)23-19(13)14)9-10-18(24)22-12-16-6-2-3-8-17(16)21/h2-8,11H,9-10,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyHIQBMUGDZATHEI-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.22
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide

N-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110331083) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110331083
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC NameN-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1cccc2cc(CCC(=O)NCc3ccccc3F)c(=O)[nH]c12
InChIInChI=1S/C20H19FN2O2/c1-13-5-4-7-14-11-15(20(25)23-19(13)14)9-10-18(24)22-12-16-6-2-3-8-17(16)21/h2-8,11H,9-10,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyHIQBMUGDZATHEI-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-[(2-methoxyphenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331087
3-[[(2-fluorophenyl)methylamino]methyl]-8-methyl-1H-quinolin-2-one
CID 18525037
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
CID 110324363
N-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331295
N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331121
3-(1,3-dioxoisoindol-2-yl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110324410
N-cyclopropyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331054
N-cyclohexyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331062
3-(4-methoxyphenyl)-N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110325780
N-[(2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide
CID 8571246
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-fluorophenyl)propanamide
CID 110415422
8-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110331072

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide (CID 110331083) is N-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide is Cc1cccc2cc(CCC(=O)NCc3ccccc3F)c(=O)[nH]c12.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is HIQBMUGDZATHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-13-5-4-7-14-11-15(20(25)23-19(13)14)9-10-18(24)22-12-16-6-2-3-8-17(16)21/h2-8,11H,9-10,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
N-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)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 N-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110331083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).