2-(6-fluoro-4-oxoquinolin-1-yl)-N-(2-methylpropyl)acetamide

C15H17FN2O2 — CID 100742567

IUPAC2-(6-fluoro-4-oxoquinolin-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1ccc(=O)c2cc(F)ccc21
InChIInChI=1S/C15H17FN2O2/c1-10(2)8-17-15(20)9-18-6-5-14(19)12-7-11(16)3-4-13(12)18/h3-7,10H,8-9H2,1-2H3,(H,17,20)
InChIKeyTWPBNCMEJWNEDE-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.91
Rot. Bonds4

About 2-(6-fluoro-4-oxoquinolin-1-yl)-N-(2-methylpropyl)acetamide

2-(6-fluoro-4-oxoquinolin-1-yl)-N-(2-methylpropyl)acetamide (PubChem CID 100742567) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(6-fluoro-4-oxoquinolin-1-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(6-fluoro-4-oxoquinolin-1-yl)-N-(2-methylpropyl)acetamide
PubChem CID100742567
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-(6-fluoro-4-oxoquinolin-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1ccc(=O)c2cc(F)ccc21
InChIInChI=1S/C15H17FN2O2/c1-10(2)8-17-15(20)9-18-6-5-14(19)12-7-11(16)3-4-13(12)18/h3-7,10H,8-9H2,1-2H3,(H,17,20)
InChIKeyTWPBNCMEJWNEDE-UHFFFAOYSA-N
XLogP1.91
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-fluoro-4-oxoquinolin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 100742748
2-(6-fluoro-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 100743776
2-(6-fluoro-4-oxoquinolin-1-yl)-N-naphthalen-1-ylacetamide
CID 100743004
2-(5-chloroindol-1-yl)-N-(2-methylpropyl)acetamide
CID 39349235
N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-4-oxoquinolin-1-yl)acetamide
CID 100743429
2-(6-methyl-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide
CID 100741082
2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide
CID 100736017
1-[2-(azepan-1-yl)-2-oxoethyl]-6-fluoroquinolin-4-one
CID 100743617
N-(2-methylpropyl)-2-(5-propan-2-yloxyindol-1-yl)acetamide
CID 116625821
2-(7-chloro-4-oxoquinolin-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 100739457
2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-methylpropyl)acetamide
CID 53028087
N-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 100734647

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4-oxoquinolin-1-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(6-fluoro-4-oxoquinolin-1-yl)-N-(2-methylpropyl)acetamide (CID 100742567) is 2-(6-fluoro-4-oxoquinolin-1-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(6-fluoro-4-oxoquinolin-1-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(6-fluoro-4-oxoquinolin-1-yl)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)Cn1ccc(=O)c2cc(F)ccc21.
What is the InChIKey of 2-(6-fluoro-4-oxoquinolin-1-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is TWPBNCMEJWNEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10(2)8-17-15(20)9-18-6-5-14(19)12-7-11(16)3-4-13(12)18/h3-7,10H,8-9H2,1-2H3,(H,17,20).
What are the key properties of 2-(6-fluoro-4-oxoquinolin-1-yl)-N-(2-methylpropyl)acetamide?
2-(6-fluoro-4-oxoquinolin-1-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 276.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-4-oxoquinolin-1-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 100742567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).