2-(6-fluoro-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide

C17H21FN2O3 — CID 100743776

IUPAC2-(6-fluoro-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)Cn1ccc(=O)c2cc(F)ccc21
InChIInChI=1S/C17H21FN2O3/c1-12(2)23-9-3-7-19-17(22)11-20-8-6-16(21)14-10-13(18)4-5-15(14)20/h4-6,8,10,12H,3,7,9,11H2,1-2H3,(H,19,22)
InChIKeyVIWZEDGQCSVXFG-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.07
Rot. Bonds7

About 2-(6-fluoro-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide

2-(6-fluoro-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 100743776) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-(6-fluoro-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(6-fluoro-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID100743776
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name2-(6-fluoro-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)Cn1ccc(=O)c2cc(F)ccc21
InChIInChI=1S/C17H21FN2O3/c1-12(2)23-9-3-7-19-17(22)11-20-8-6-16(21)14-10-13(18)4-5-15(14)20/h4-6,8,10,12H,3,7,9,11H2,1-2H3,(H,19,22)
InChIKeyVIWZEDGQCSVXFG-UHFFFAOYSA-N
XLogP2.07
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(6-bromo-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 100737481
2-(6-fluoro-4-oxoquinolin-1-yl)-N-(2-methylpropyl)acetamide
CID 100742567
2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 100745016
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 24520750
2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 63850800
2-(6-fluoro-4-oxoquinolin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 100742748
N-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 100734647
2-(6-fluoro-4-oxoquinolin-1-yl)-N-naphthalen-1-ylacetamide
CID 100743004
N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-4-oxoquinolin-1-yl)acetamide
CID 100743429
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-propan-2-yloxypropyl)acetamide
CID 55361512
2-(4-oxoquinolin-1-yl)-N-pentylacetamide
CID 47779055
2-(6-methyl-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide
CID 100741082

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(6-fluoro-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide (CID 100743776) is 2-(6-fluoro-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(6-fluoro-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(6-fluoro-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)Cn1ccc(=O)c2cc(F)ccc21.
What is the InChIKey of 2-(6-fluoro-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is VIWZEDGQCSVXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-12(2)23-9-3-7-19-17(22)11-20-8-6-16(21)14-10-13(18)4-5-15(14)20/h4-6,8,10,12H,3,7,9,11H2,1-2H3,(H,19,22).
What are the key properties of 2-(6-fluoro-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide?
2-(6-fluoro-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 320.36 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 100743776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).