3,4-difluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide

C21H22F2N2O2 — CID 16927256

IUPAC3,4-difluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
SMILESCC(C)CCN1C(=O)CCc2cc(NC(=O)c3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C21H22F2N2O2/c1-13(2)9-10-25-19-7-5-16(11-14(19)4-8-20(25)26)24-21(27)15-3-6-17(22)18(23)12-15/h3,5-7,11-13H,4,8-10H2,1-2H3,(H,24,27)
InChIKeyUOGKSPSIWXSOQC-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.54
Rot. Bonds5

About 3,4-difluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide

3,4-difluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide (PubChem CID 16927256) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 3,4-difluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
PubChem CID16927256
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name3,4-difluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
SMILESCC(C)CCN1C(=O)CCc2cc(NC(=O)c3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C21H22F2N2O2/c1-13(2)9-10-25-19-7-5-16(11-14(19)4-8-20(25)26)24-21(27)15-3-6-17(22)18(23)12-15/h3,5-7,11-13H,4,8-10H2,1-2H3,(H,24,27)
InChIKeyUOGKSPSIWXSOQC-UHFFFAOYSA-N
XLogP4.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide
CID 16927194
3,5-dimethoxy-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927187
2-chloro-6-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927224
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide
CID 16927232
1-(3,4-dichlorophenyl)-3-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea
CID 30376866
1-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-(3-methylphenyl)urea
CID 30376939
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide
CID 16926732
phenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate
CID 16927201
3,4-dichloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzamide
CID 16926773
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxochromene-3-carboxamide
CID 16927234
2-(3-fluorophenoxy)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide
CID 16927276
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-(4-phenylphenyl)acetamide
CID 121084335

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide?
The IUPAC name of 3,4-difluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide (CID 16927256) is 3,4-difluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide is CC(C)CCN1C(=O)CCc2cc(NC(=O)c3ccc(F)c(F)c3)ccc21.
What is the InChIKey of 3,4-difluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide?
The InChIKey is UOGKSPSIWXSOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c1-13(2)9-10-25-19-7-5-16(11-14(19)4-8-20(25)26)24-21(27)15-3-6-17(22)18(23)12-15/h3,5-7,11-13H,4,8-10H2,1-2H3,(H,24,27).
What are the key properties of 3,4-difluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide?
3,4-difluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide has a molecular weight of 372.42 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide is sourced from PubChem (CID 16927256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).