7-[[2-(4-fluorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-1H-quinolin-2-one

C21H16FNO4 — CID 10546781

IUPAC7-[[2-(4-fluorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-1H-quinolin-2-one
SMILESC=C1CC(COc2ccc3ccc(=O)[nH]c3c2)(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C21H16FNO4/c1-13-11-21(27-20(13)25,15-4-6-16(22)7-5-15)12-26-17-8-2-14-3-9-19(24)23-18(14)10-17/h2-10H,1,11-12H2,(H,23,24)
InChIKeyFGMHUXMQFCPIHC-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.44
Rot. Bonds4

About 7-[[2-(4-fluorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-1H-quinolin-2-one

7-[[2-(4-fluorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-1H-quinolin-2-one (PubChem CID 10546781) has the molecular formula C21H16FNO4 and a molecular weight of 365.36 g/mol. Its IUPAC name is 7-[[2-(4-fluorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[[2-(4-fluorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-1H-quinolin-2-one
PubChem CID10546781
Molecular FormulaC21H16FNO4
Molecular Weight365.36 g/mol
Exact Mass365.11
IUPAC Name7-[[2-(4-fluorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-1H-quinolin-2-one
SMILESC=C1CC(COc2ccc3ccc(=O)[nH]c3c2)(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C21H16FNO4/c1-13-11-21(27-20(13)25,15-4-6-16(22)7-5-15)12-26-17-8-2-14-3-9-19(24)23-18(14)10-17/h2-10H,1,11-12H2,(H,23,24)
InChIKeyFGMHUXMQFCPIHC-UHFFFAOYSA-N
XLogP3.44
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-fluoro-2-methylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4877901
(E)-3-(2-fluoro-4-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide
CID 162671870
Methyl (3-{[(2-fluorophenyl)carbonyl]amino}phenoxy)acetate
CID 973511
(S)-2-methyl-2-((4-(3-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yloxy)propoxy)phenyl)methyl)butanoic acid
CID 44409213
(3-hexyl-4-methyl-2-oxo-1H-quinolin-7-yl) acetate
CID 46907087
2-(4-methylphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate
CID 2431984
(7-methoxy-2-oxo-3-phenyl-1H-quinolin-4-yl) acetate
CID 145963078
Cct-62
CID 9863080
6-(4-Fluorophenyl)-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-7-one
CID 132529984
Dimethyl 4-{3-[(2-fluorobenzoyl)amino]phenoxy}phthalate
CID 1026564
4-[3-[(4-Fluorobenzoyl)amino]phenoxy]phthalate
CID 40490466
7-[(2-fluorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940032

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(4-fluorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-1H-quinolin-2-one?
The IUPAC name of 7-[[2-(4-fluorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-1H-quinolin-2-one (CID 10546781) is 7-[[2-(4-fluorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-1H-quinolin-2-one.
What is the SMILES notation for 7-[[2-(4-fluorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-1H-quinolin-2-one?
The canonical SMILES for 7-[[2-(4-fluorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-1H-quinolin-2-one is C=C1CC(COc2ccc3ccc(=O)[nH]c3c2)(c2ccc(F)cc2)OC1=O.
What is the InChIKey of 7-[[2-(4-fluorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-1H-quinolin-2-one?
The InChIKey is FGMHUXMQFCPIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO4/c1-13-11-21(27-20(13)25,15-4-6-16(22)7-5-15)12-26-17-8-2-14-3-9-19(24)23-18(14)10-17/h2-10H,1,11-12H2,(H,23,24).
What are the key properties of 7-[[2-(4-fluorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-1H-quinolin-2-one?
7-[[2-(4-fluorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-1H-quinolin-2-one has a molecular weight of 365.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(4-fluorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-1H-quinolin-2-one is sourced from PubChem (CID 10546781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).