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

C22H25FN2O3 — CID 16927276

IUPAC2-(3-fluorophenoxy)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide
SMILESCC(C)CCN1C(=O)CCc2cc(NC(=O)COc3cccc(F)c3)ccc21
InChIInChI=1S/C22H25FN2O3/c1-15(2)10-11-25-20-8-7-18(12-16(20)6-9-22(25)27)24-21(26)14-28-19-5-3-4-17(23)13-19/h3-5,7-8,12-13,15H,6,9-11,14H2,1-2H3,(H,24,26)
InChIKeySJXRQTNLFLKOGS-UHFFFAOYSA-N
MW384.45 g/mol
LogP4.17
Rot. Bonds7

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

2-(3-fluorophenoxy)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide (PubChem CID 16927276) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide
PubChem CID16927276
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name2-(3-fluorophenoxy)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide
SMILESCC(C)CCN1C(=O)CCc2cc(NC(=O)COc3cccc(F)c3)ccc21
InChIInChI=1S/C22H25FN2O3/c1-15(2)10-11-25-20-8-7-18(12-16(20)6-9-22(25)27)24-21(26)14-28-19-5-3-4-17(23)13-19/h3-5,7-8,12-13,15H,6,9-11,14H2,1-2H3,(H,24,26)
InChIKeySJXRQTNLFLKOGS-UHFFFAOYSA-N
XLogP4.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-phenoxyacetamide
CID 16828121
phenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate
CID 16927201
1-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-(3-methylphenyl)urea
CID 30376939
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-(4-phenylphenyl)acetamide
CID 121084335
N-methyl-2-[3-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)carbamoylamino]phenoxy]acetamide
CID 167803380
2-chloro-6-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927224
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
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-naphthalen-2-yloxyacetamide
CID 40946919
3,4-difluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927256
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide (CID 16927276) is 2-(3-fluorophenoxy)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide is CC(C)CCN1C(=O)CCc2cc(NC(=O)COc3cccc(F)c3)ccc21.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide?
The InChIKey is SJXRQTNLFLKOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-15(2)10-11-25-20-8-7-18(12-16(20)6-9-22(25)27)24-21(26)14-28-19-5-3-4-17(23)13-19/h3-5,7-8,12-13,15H,6,9-11,14H2,1-2H3,(H,24,26).
What are the key properties of 2-(3-fluorophenoxy)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide?
2-(3-fluorophenoxy)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide has a molecular weight of 384.45 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide is sourced from PubChem (CID 16927276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).