N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,6-difluorobenzamide

C20H20F2N2O2 — CID 16926960

IUPACN-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,6-difluorobenzamide
SMILESCCCCN1C(=O)CCc2cc(NC(=O)c3c(F)cccc3F)ccc21
InChIInChI=1S/C20H20F2N2O2/c1-2-3-11-24-17-9-8-14(12-13(17)7-10-18(24)25)23-20(26)19-15(21)5-4-6-16(19)22/h4-6,8-9,12H,2-3,7,10-11H2,1H3,(H,23,26)
InChIKeyKNACVWAANMOZLQ-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.30
Rot. Bonds5

About N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,6-difluorobenzamide

N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,6-difluorobenzamide (PubChem CID 16926960) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,6-difluorobenzamide
PubChem CID16926960
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,6-difluorobenzamide
SMILESCCCCN1C(=O)CCc2cc(NC(=O)c3c(F)cccc3F)ccc21
InChIInChI=1S/C20H20F2N2O2/c1-2-3-11-24-17-9-8-14(12-13(17)7-10-18(24)25)23-20(26)19-15(21)5-4-6-16(19)22/h4-6,8-9,12H,2-3,7,10-11H2,1H3,(H,23,26)
InChIKeyKNACVWAANMOZLQ-UHFFFAOYSA-N
XLogP4.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927224
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide
CID 16926947
2,6-dimethoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzamide
CID 16926742
1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-chlorophenyl)urea
CID 30376690
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,2-dimethylpropanamide
CID 16926976
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-methyl-3-nitrobenzamide
CID 16926964
3-fluoro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)pyridine-4-carboxamide
CID 75515505
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,4-dimethoxybenzamide
CID 16927030
3,5-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzamide
CID 16926766
2,2-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 16926756
2-ethoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)naphthalene-1-carboxamide
CID 16926745
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)thiophene-3-carboxamide
CID 71842958

Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,6-difluorobenzamide?
The IUPAC name of N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,6-difluorobenzamide (CID 16926960) is N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,6-difluorobenzamide?
The canonical SMILES for N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,6-difluorobenzamide is CCCCN1C(=O)CCc2cc(NC(=O)c3c(F)cccc3F)ccc21.
What is the InChIKey of N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,6-difluorobenzamide?
The InChIKey is KNACVWAANMOZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c1-2-3-11-24-17-9-8-14(12-13(17)7-10-18(24)25)23-20(26)19-15(21)5-4-6-16(19)22/h4-6,8-9,12H,2-3,7,10-11H2,1H3,(H,23,26).
What are the key properties of N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,6-difluorobenzamide?
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,6-difluorobenzamide has a molecular weight of 358.39 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,6-difluorobenzamide is sourced from PubChem (CID 16926960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).