3-(4-fluorophenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide

C20H19FN2O2 — CID 110619584

IUPAC3-(4-fluorophenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide
SMILESCC(CC(=O)NCc1cc2ccccc2[nH]c1=O)c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O2/c1-13(14-6-8-17(21)9-7-14)10-19(24)22-12-16-11-15-4-2-3-5-18(15)23-20(16)25/h2-9,11,13H,10,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyFBCGHEDJNBHWQA-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.48
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide

3-(4-fluorophenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide (PubChem CID 110619584) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide
PubChem CID110619584
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name3-(4-fluorophenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide
SMILESCC(CC(=O)NCc1cc2ccccc2[nH]c1=O)c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O2/c1-13(14-6-8-17(21)9-7-14)10-19(24)22-12-16-11-15-4-2-3-5-18(15)23-20(16)25/h2-9,11,13H,10,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyFBCGHEDJNBHWQA-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110616654
N-(1-naphthalen-2-ylethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 51115860
2-(4-methoxyphenyl)-3-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide
CID 110619593
3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110413285
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 93081788
2-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616680
2-(4-oxo-3H-phthalazin-1-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 139017463
N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-3-(3-fluorophenyl)butanamide
CID 166216968
4-fluoro-N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 4885893
2-(2-methoxyphenoxy)-N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]acetamide
CID 110325585
3-[(2-oxo-1H-quinolin-3-yl)methylamino]-3-phenylpropanoic acid
CID 166226957
(2S)-4-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]pentanoic acid
CID 120510789

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide (CID 110619584) is 3-(4-fluorophenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide is CC(CC(=O)NCc1cc2ccccc2[nH]c1=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide?
The InChIKey is FBCGHEDJNBHWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-13(14-6-8-17(21)9-7-14)10-19(24)22-12-16-11-15-4-2-3-5-18(15)23-20(16)25/h2-9,11,13H,10,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 3-(4-fluorophenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide?
3-(4-fluorophenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide has a molecular weight of 338.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]butanamide is sourced from PubChem (CID 110619584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).