N-[(4-fluorophenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide

C18H17FN2O2 — CID 110768429

IUPACN-[(4-fluorophenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCC(=O)N2)NCc1ccc(F)cc1
InChIInChI=1S/C18H17FN2O2/c19-15-5-1-12(2-6-15)11-20-18(23)10-13-3-7-16-14(9-13)4-8-17(22)21-16/h1-3,5-7,9H,4,8,10-11H2,(H,20,23)(H,21,22)
InChIKeyUDKWIVCBDHGJBK-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.57
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide

N-[(4-fluorophenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide (PubChem CID 110768429) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
PubChem CID110768429
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCC(=O)N2)NCc1ccc(F)cc1
InChIInChI=1S/C18H17FN2O2/c19-15-5-1-12(2-6-15)11-20-18(23)10-13-3-7-16-14(9-13)4-8-17(22)21-16/h1-3,5-7,9H,4,8,10-11H2,(H,20,23)(H,21,22)
InChIKeyUDKWIVCBDHGJBK-UHFFFAOYSA-N
XLogP2.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781545
2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 82496063
N-[(2-methylphenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768423
1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110775001
N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide
CID 20862475
N-[(4-fluorophenyl)methyl]-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide
CID 110770729
N-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 166410295
N-(3-methoxypropyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768411
N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide
CID 115191821
N-[2-(4-fluorophenyl)ethyl]-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 110768108
N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768453
2-chloro-6-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781570

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide (CID 110768429) is N-[(4-fluorophenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide is O=C(Cc1ccc2c(c1)CCC(=O)N2)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide?
The InChIKey is UDKWIVCBDHGJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-15-5-1-12(2-6-15)11-20-18(23)10-13-3-7-16-14(9-13)4-8-17(22)21-16/h1-3,5-7,9H,4,8,10-11H2,(H,20,23)(H,21,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide has a molecular weight of 312.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide is sourced from PubChem (CID 110768429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).