6-[[5-(4-methoxyoxan-4-yl)-1,3-thiazol-2-yl]sulfanyl]-1-methyl-3,4-dihydroquinolin-2-one

C19H22N2O3S2 — CID 18998785

IUPAC6-[[5-(4-methoxyoxan-4-yl)-1,3-thiazol-2-yl]sulfanyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCOC1(c2cnc(Sc3ccc4c(c3)CCC(=O)N4C)s2)CCOCC1
InChIInChI=1S/C19H22N2O3S2/c1-21-15-5-4-14(11-13(15)3-6-17(21)22)25-18-20-12-16(26-18)19(23-2)7-9-24-10-8-19/h4-5,11-12H,3,6-10H2,1-2H3
InChIKeyKNPSGWHBSZMASJ-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.86
Rot. Bonds4

About 6-[[5-(4-methoxyoxan-4-yl)-1,3-thiazol-2-yl]sulfanyl]-1-methyl-3,4-dihydroquinolin-2-one

6-[[5-(4-methoxyoxan-4-yl)-1,3-thiazol-2-yl]sulfanyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 18998785) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 6-[[5-(4-methoxyoxan-4-yl)-1,3-thiazol-2-yl]sulfanyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[[5-(4-methoxyoxan-4-yl)-1,3-thiazol-2-yl]sulfanyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID18998785
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC Name6-[[5-(4-methoxyoxan-4-yl)-1,3-thiazol-2-yl]sulfanyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCOC1(c2cnc(Sc3ccc4c(c3)CCC(=O)N4C)s2)CCOCC1
InChIInChI=1S/C19H22N2O3S2/c1-21-15-5-4-14(11-13(15)3-6-17(21)22)25-18-20-12-16(26-18)19(23-2)7-9-24-10-8-19/h4-5,11-12H,3,6-10H2,1-2H3
InChIKeyKNPSGWHBSZMASJ-UHFFFAOYSA-N
XLogP3.86
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

Analyze 6-[[5-(4-methoxyoxan-4-yl)-1,3-thiazol-2-yl]sulfanyl]-1-methyl-3,4-dihydroquinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-6-(trifluoromethylsulfanyl)-3,4-dihydroquinolin-2-one
CID 159673428
1,6-dimethyl-3,4-dihydroquinolin-2-one
CID 20546933
5-[4-(4-methoxyoxan-4-yl)thiophen-2-yl]sulfanyl-1,3-dihydroinden-2-one
CID 54504693
6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 95474315
1-methyl-6-(1-methylcyclopropanecarbonyl)-3,4-dihydroquinolin-2-one
CID 82293701
1-methyl-6-[5-[3-(methylamino)oxetan-3-yl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 146229350
1-methyl-6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)-3,4-dihydroquinolin-2-one
CID 139005822
6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312742
6-[ethyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 115259298
6-(1-amino-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105964
1-methyl-6-[1-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 63105201
6-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanyl-1-methylquinolin-2-one
CID 19088461

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(4-methoxyoxan-4-yl)-1,3-thiazol-2-yl]sulfanyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[[5-(4-methoxyoxan-4-yl)-1,3-thiazol-2-yl]sulfanyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 18998785) is 6-[[5-(4-methoxyoxan-4-yl)-1,3-thiazol-2-yl]sulfanyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[[5-(4-methoxyoxan-4-yl)-1,3-thiazol-2-yl]sulfanyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[[5-(4-methoxyoxan-4-yl)-1,3-thiazol-2-yl]sulfanyl]-1-methyl-3,4-dihydroquinolin-2-one is COC1(c2cnc(Sc3ccc4c(c3)CCC(=O)N4C)s2)CCOCC1.
What is the InChIKey of 6-[[5-(4-methoxyoxan-4-yl)-1,3-thiazol-2-yl]sulfanyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is KNPSGWHBSZMASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c1-21-15-5-4-14(11-13(15)3-6-17(21)22)25-18-20-12-16(26-18)19(23-2)7-9-24-10-8-19/h4-5,11-12H,3,6-10H2,1-2H3.
What are the key properties of 6-[[5-(4-methoxyoxan-4-yl)-1,3-thiazol-2-yl]sulfanyl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[[5-(4-methoxyoxan-4-yl)-1,3-thiazol-2-yl]sulfanyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 390.53 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(4-methoxyoxan-4-yl)-1,3-thiazol-2-yl]sulfanyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 18998785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).