7-(2-phenoxyethoxy)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one

C20H18N2O3S — CID 169417340

IUPAC7-(2-phenoxyethoxy)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(c2cncs2)c2ccc(OCCOc3ccccc3)cc2N1
InChIInChI=1S/C20H18N2O3S/c23-20-11-17(19-12-21-13-26-19)16-7-6-15(10-18(16)22-20)25-9-8-24-14-4-2-1-3-5-14/h1-7,10,12-13,17H,8-9,11H2,(H,22,23)
InChIKeyNNNYWJWJUIKFTR-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.07
Rot. Bonds6

About 7-(2-phenoxyethoxy)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one

7-(2-phenoxyethoxy)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 169417340) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 7-(2-phenoxyethoxy)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(2-phenoxyethoxy)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID169417340
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name7-(2-phenoxyethoxy)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(c2cncs2)c2ccc(OCCOc3ccccc3)cc2N1
InChIInChI=1S/C20H18N2O3S/c23-20-11-17(19-12-21-13-26-19)16-7-6-15(10-18(16)22-20)25-9-8-24-14-4-2-1-3-5-14/h1-7,10,12-13,17H,8-9,11H2,(H,22,23)
InChIKeyNNNYWJWJUIKFTR-UHFFFAOYSA-N
XLogP4.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-(5-chlorothiophen-2-yl)-7-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 95136942
7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one
CID 169422313
7-(2-methoxyethoxy)-4-(3-methyl-1H-indol-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 50958678
(4R)-7-(2-methoxyethoxy)-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 95127170
4-(1,3-benzodioxol-4-yl)-7-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 50953624
(7R)-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42559305
(4R)-6,7-dimethoxy-4-thiophen-2-yl-3,4-dihydro-1H-quinolin-2-one
CID 707556
6-[3-(dimethylamino)propoxy]-4-phenyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 131710541
(1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2231068
(7S)-7-[4-(2-phenoxyethoxy)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137094232
7-(3-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 16763604
7-(4-chlorobutoxy)-4-methyl-3,4-dihydro-1H-quinolin-2-one;tribromoborane
CID 157286478

Frequently Asked Questions

What is the IUPAC name of 7-(2-phenoxyethoxy)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-(2-phenoxyethoxy)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one (CID 169417340) is 7-(2-phenoxyethoxy)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-(2-phenoxyethoxy)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-(2-phenoxyethoxy)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one is O=C1CC(c2cncs2)c2ccc(OCCOc3ccccc3)cc2N1.
What is the InChIKey of 7-(2-phenoxyethoxy)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NNNYWJWJUIKFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c23-20-11-17(19-12-21-13-26-19)16-7-6-15(10-18(16)22-20)25-9-8-24-14-4-2-1-3-5-14/h1-7,10,12-13,17H,8-9,11H2,(H,22,23).
What are the key properties of 7-(2-phenoxyethoxy)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one?
7-(2-phenoxyethoxy)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 366.44 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-phenoxyethoxy)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 169417340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).