7-[[2-(4-chlorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one

C21H18ClNO4 — CID 101048464

IUPAC7-[[2-(4-chlorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESC=C1CC(COc2ccc3c(c2)NC(=O)CC3)(c2ccc(Cl)cc2)OC1=O
InChIInChI=1S/C21H18ClNO4/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/h2,4-8,10H,1,3,9,11-12H2,(H,23,24)
InChIKeyPUKNKUGBPRZRDR-UHFFFAOYSA-N
MW383.83 g/mol
LogP4.00
Rot. Bonds4

About 7-[[2-(4-chlorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one

7-[[2-(4-chlorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 101048464) has the molecular formula C21H18ClNO4 and a molecular weight of 383.83 g/mol. Its IUPAC name is 7-[[2-(4-chlorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[[2-(4-chlorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID101048464
Molecular FormulaC21H18ClNO4
Molecular Weight383.83 g/mol
Exact Mass383.09
IUPAC Name7-[[2-(4-chlorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESC=C1CC(COc2ccc3c(c2)NC(=O)CC3)(c2ccc(Cl)cc2)OC1=O
InChIInChI=1S/C21H18ClNO4/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/h2,4-8,10H,1,3,9,11-12H2,(H,23,24)
InChIKeyPUKNKUGBPRZRDR-UHFFFAOYSA-N
XLogP4.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.83
LogP ≤ 54.00
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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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(4-chlorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[[2-(4-chlorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one (CID 101048464) is 7-[[2-(4-chlorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[[2-(4-chlorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[[2-(4-chlorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one is C=C1CC(COc2ccc3c(c2)NC(=O)CC3)(c2ccc(Cl)cc2)OC1=O.
What is the InChIKey of 7-[[2-(4-chlorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PUKNKUGBPRZRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO4/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/h2,4-8,10H,1,3,9,11-12H2,(H,23,24).
What are the key properties of 7-[[2-(4-chlorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[[2-(4-chlorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 383.83 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(4-chlorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 101048464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).