6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one

C21H17NO2 — CID 68591635

IUPAC6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(-c3ccc(Oc4ccccc4)cc3)ccc2N1
InChIInChI=1S/C21H17NO2/c23-21-13-9-17-14-16(8-12-20(17)22-21)15-6-10-19(11-7-15)24-18-4-2-1-3-5-18/h1-8,10-12,14H,9,13H2,(H,22,23)
InChIKeyNHTSVNOHCDINDU-UHFFFAOYSA-N
MW315.37 g/mol
LogP5.03
Rot. Bonds3

About 6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one

6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 68591635) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID68591635
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(-c3ccc(Oc4ccccc4)cc3)ccc2N1
InChIInChI=1S/C21H17NO2/c23-21-13-9-17-14-16(8-12-20(17)22-21)15-6-10-19(11-7-15)24-18-4-2-1-3-5-18/h1-8,10-12,14H,9,13H2,(H,22,23)
InChIKeyNHTSVNOHCDINDU-UHFFFAOYSA-N
XLogP5.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.37
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 163249682
6-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 12001471
6-phenoxy-1,3-dihydroindol-2-one
CID 70875374
6-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 78938613
anisole;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 88692964
5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-3-carbonitrile
CID 116858528
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pyridine-2-carboxylic acid
CID 43325986
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(3-phenoxyphenyl)methyl]butanamide
CID 55688683
6-(1,3-benzoxazol-2-yloxy)-3,4-dihydro-1H-quinolin-2-one
CID 75526069
2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-(3-phenoxyphenyl)guanidine
CID 111598720
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-phenoxyacetamide
CID 18571268
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 122303890

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one (CID 68591635) is 6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(-c3ccc(Oc4ccccc4)cc3)ccc2N1.
What is the InChIKey of 6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NHTSVNOHCDINDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c23-21-13-9-17-14-16(8-12-20(17)22-21)15-6-10-19(11-7-15)24-18-4-2-1-3-5-18/h1-8,10-12,14H,9,13H2,(H,22,23).
What are the key properties of 6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 315.37 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 68591635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).