N-[(4-fluorophenyl)methyl]-2-(6-oxo-7,8-dihydro-5H-quinolin-7-yl)acetamide

C18H17FN2O2 — CID 167557998

IUPACN-[(4-fluorophenyl)methyl]-2-(6-oxo-7,8-dihydro-5H-quinolin-7-yl)acetamide
SMILESO=C(CC1Cc2ncccc2CC1=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H17FN2O2/c19-15-5-3-12(4-6-15)11-21-18(23)10-14-8-16-13(9-17(14)22)2-1-7-20-16/h1-7,14H,8-11H2,(H,21,23)
InChIKeyZRYCWUYHNDEFEK-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.21
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-(6-oxo-7,8-dihydro-5H-quinolin-7-yl)acetamide

N-[(4-fluorophenyl)methyl]-2-(6-oxo-7,8-dihydro-5H-quinolin-7-yl)acetamide (PubChem CID 167557998) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(6-oxo-7,8-dihydro-5H-quinolin-7-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(6-oxo-7,8-dihydro-5H-quinolin-7-yl)acetamide
PubChem CID167557998
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(6-oxo-7,8-dihydro-5H-quinolin-7-yl)acetamide
SMILESO=C(CC1Cc2ncccc2CC1=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H17FN2O2/c19-15-5-3-12(4-6-15)11-21-18(23)10-14-8-16-13(9-17(14)22)2-1-7-20-16/h1-7,14H,8-11H2,(H,21,23)
InChIKeyZRYCWUYHNDEFEK-UHFFFAOYSA-N
XLogP2.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide
CID 167648829
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 64616743
[1-[(4-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]methylcarbamic acid
CID 69398927
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109021011
3-bromo-N-[(4-fluorophenyl)methyl]propanamide
CID 82109688
N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
N-[(4-fluorophenyl)methyl]-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108946407
3-[(4-fluorophenyl)methylamino]-3-oxopropanoic acid
CID 62230048
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113120177
N-[(4-fluorophenyl)methyl]-2-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]acetamide
CID 92730629
N-[(4-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979441

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(6-oxo-7,8-dihydro-5H-quinolin-7-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(6-oxo-7,8-dihydro-5H-quinolin-7-yl)acetamide (CID 167557998) is N-[(4-fluorophenyl)methyl]-2-(6-oxo-7,8-dihydro-5H-quinolin-7-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(6-oxo-7,8-dihydro-5H-quinolin-7-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(6-oxo-7,8-dihydro-5H-quinolin-7-yl)acetamide is O=C(CC1Cc2ncccc2CC1=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(6-oxo-7,8-dihydro-5H-quinolin-7-yl)acetamide?
The InChIKey is ZRYCWUYHNDEFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-15-5-3-12(4-6-15)11-21-18(23)10-14-8-16-13(9-17(14)22)2-1-7-20-16/h1-7,14H,8-11H2,(H,21,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(6-oxo-7,8-dihydro-5H-quinolin-7-yl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(6-oxo-7,8-dihydro-5H-quinolin-7-yl)acetamide has a molecular weight of 312.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(6-oxo-7,8-dihydro-5H-quinolin-7-yl)acetamide is sourced from PubChem (CID 167557998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).