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

C21H22ClFN2O2 — CID 16927224

IUPAC2-chloro-6-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
SMILESCC(C)CCN1C(=O)CCc2cc(NC(=O)c3c(F)cccc3Cl)ccc21
InChIInChI=1S/C21H22ClFN2O2/c1-13(2)10-11-25-18-8-7-15(12-14(18)6-9-19(25)26)24-21(27)20-16(22)4-3-5-17(20)23/h3-5,7-8,12-13H,6,9-11H2,1-2H3,(H,24,27)
InChIKeyIMEMTVYXATWALH-UHFFFAOYSA-N
MW388.87 g/mol
LogP5.06
Rot. Bonds5

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

2-chloro-6-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide (PubChem CID 16927224) has the molecular formula C21H22ClFN2O2 and a molecular weight of 388.87 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
PubChem CID16927224
Molecular FormulaC21H22ClFN2O2
Molecular Weight388.87 g/mol
Exact Mass388.14
IUPAC Name2-chloro-6-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
SMILESCC(C)CCN1C(=O)CCc2cc(NC(=O)c3c(F)cccc3Cl)ccc21
InChIInChI=1S/C21H22ClFN2O2/c1-13(2)10-11-25-18-8-7-15(12-14(18)6-9-19(25)26)24-21(27)20-16(22)4-3-5-17(20)23/h3-5,7-8,12-13H,6,9-11H2,1-2H3,(H,24,27)
InChIKeyIMEMTVYXATWALH-UHFFFAOYSA-N
XLogP5.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.87
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927256
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,6-difluorobenzamide
CID 16926960
1-(3,4-dichlorophenyl)-3-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea
CID 30376866
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide
CID 16927232
1-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-(3-methylphenyl)urea
CID 30376939
3,5-dimethoxy-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927187
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide
CID 16927194
2-(3-fluorophenoxy)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide
CID 16927276
phenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate
CID 16927201
3-chloro-4-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16820986
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxochromene-3-carboxamide
CID 16927234
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 2-chloro-6-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide (CID 16927224) is 2-chloro-6-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide is CC(C)CCN1C(=O)CCc2cc(NC(=O)c3c(F)cccc3Cl)ccc21.
What is the InChIKey of 2-chloro-6-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide?
The InChIKey is IMEMTVYXATWALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O2/c1-13(2)10-11-25-18-8-7-15(12-14(18)6-9-19(25)26)24-21(27)20-16(22)4-3-5-17(20)23/h3-5,7-8,12-13H,6,9-11H2,1-2H3,(H,24,27).
What are the key properties of 2-chloro-6-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide?
2-chloro-6-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide has a molecular weight of 388.87 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide is sourced from PubChem (CID 16927224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).