7-fluoro-6-[2-(2-methyl-3-nitrophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one

C18H15FN2O5 — CID 60518431

IUPAC7-fluoro-6-[2-(2-methyl-3-nitrophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1c(OCC(=O)c2cc3c(cc2F)NC(=O)CC3)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H15FN2O5/c1-10-15(21(24)25)3-2-4-17(10)26-9-16(22)12-7-11-5-6-18(23)20-14(11)8-13(12)19/h2-4,7-8H,5-6,9H2,1H3,(H,20,23)
InChIKeyXBBVMTWINXYBFS-UHFFFAOYSA-N
MW358.33 g/mol
LogP3.19
Rot. Bonds5

About 7-fluoro-6-[2-(2-methyl-3-nitrophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one

7-fluoro-6-[2-(2-methyl-3-nitrophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 60518431) has the molecular formula C18H15FN2O5 and a molecular weight of 358.33 g/mol. Its IUPAC name is 7-fluoro-6-[2-(2-methyl-3-nitrophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-[2-(2-methyl-3-nitrophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID60518431
Molecular FormulaC18H15FN2O5
Molecular Weight358.33 g/mol
Exact Mass358.10
IUPAC Name7-fluoro-6-[2-(2-methyl-3-nitrophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1c(OCC(=O)c2cc3c(cc2F)NC(=O)CC3)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H15FN2O5/c1-10-15(21(24)25)3-2-4-17(10)26-9-16(22)12-7-11-5-6-18(23)20-14(11)8-13(12)19/h2-4,7-8H,5-6,9H2,1H3,(H,20,23)
InChIKeyXBBVMTWINXYBFS-UHFFFAOYSA-N
XLogP3.19
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]benzonitrile
CID 47044616
2-(2-methyl-3-nitrophenoxy)acetamide
CID 47214184
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281
ethyl 3-(6-nitro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanoate
CID 2749821
7-fluoro-6-(3-fluorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457547
6-[2-[4-nitro-2-(trifluoromethyl)phenoxy]acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 60605048
1-(4-fluorophenyl)-2-(2-methyl-3-nitrophenoxy)ethanol
CID 109415938
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-nitrophenyl)acetamide
CID 91649819
2-(2-fluoro-6-nitrophenoxy)-1-(2-fluorophenyl)ethanone
CID 104831980
2,2-dimethyl-3-(2-methyl-3-nitrophenoxy)propanoic acid
CID 79622273
7-fluoro-6-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-3,4-dihydro-1H-quinolin-2-one
CID 51083209
6-[2-(2,3-dichlorophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 51183735

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[2-(2-methyl-3-nitrophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-[2-(2-methyl-3-nitrophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one (CID 60518431) is 7-fluoro-6-[2-(2-methyl-3-nitrophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-[2-(2-methyl-3-nitrophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-[2-(2-methyl-3-nitrophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one is Cc1c(OCC(=O)c2cc3c(cc2F)NC(=O)CC3)cccc1[N+](=O)[O-].
What is the InChIKey of 7-fluoro-6-[2-(2-methyl-3-nitrophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XBBVMTWINXYBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O5/c1-10-15(21(24)25)3-2-4-17(10)26-9-16(22)12-7-11-5-6-18(23)20-14(11)8-13(12)19/h2-4,7-8H,5-6,9H2,1H3,(H,20,23).
What are the key properties of 7-fluoro-6-[2-(2-methyl-3-nitrophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-6-[2-(2-methyl-3-nitrophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 358.33 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[2-(2-methyl-3-nitrophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 60518431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).