6-(2-hydroxyethylamino)-10-methoxythiochromeno[2,3-c]quinolin-12-one

C19H16N2O3S — CID 139572274

IUPAC6-(2-hydroxyethylamino)-10-methoxythiochromeno[2,3-c]quinolin-12-one
SMILESCOc1ccc2sc3c(NCCO)nc4ccccc4c3c(=O)c2c1
InChIInChI=1S/C19H16N2O3S/c1-24-11-6-7-15-13(10-11)17(23)16-12-4-2-3-5-14(12)21-19(18(16)25-15)20-8-9-22/h2-7,10,22H,8-9H2,1H3,(H,20,21)
InChIKeyGVXJRBIDHPKTJE-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.38
Rot. Bonds4

About 6-(2-hydroxyethylamino)-10-methoxythiochromeno[2,3-c]quinolin-12-one

6-(2-hydroxyethylamino)-10-methoxythiochromeno[2,3-c]quinolin-12-one (PubChem CID 139572274) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 6-(2-hydroxyethylamino)-10-methoxythiochromeno[2,3-c]quinolin-12-one.

Molecular Properties

Compound Name6-(2-hydroxyethylamino)-10-methoxythiochromeno[2,3-c]quinolin-12-one
PubChem CID139572274
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name6-(2-hydroxyethylamino)-10-methoxythiochromeno[2,3-c]quinolin-12-one
SMILESCOc1ccc2sc3c(NCCO)nc4ccccc4c3c(=O)c2c1
InChIInChI=1S/C19H16N2O3S/c1-24-11-6-7-15-13(10-11)17(23)16-12-4-2-3-5-14(12)21-19(18(16)25-15)20-8-9-22/h2-7,10,22H,8-9H2,1H3,(H,20,21)
InChIKeyGVXJRBIDHPKTJE-UHFFFAOYSA-N
XLogP3.38
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-(2-hydroxyethylamino)-10-methoxythiochromeno[2,3-c]quinolin-12-one with MolForge

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Related Compounds

6-(butylamino)-10-(trifluoromethyl)thiochromeno[2,3-c]quinolin-12-one;6-[3-(propylamino)propylamino]-10-(trifluoromethyl)thiochromeno[2,3-c]quinolin-12-one
CID 165035189
6-(butylamino)-8-fluorothiochromeno[2,3-c]quinolin-12-one
CID 161026331
1-chloro-7-methoxy-4-methylthioxanthen-9-one
CID 125463535
10-fluoro-6-(pyridin-2-ylamino)thiochromeno[2,3-c]quinolin-12-one
CID 146501121
2-[(6-methoxyquinazolin-4-yl)amino]ethanol
CID 21002851
10-fluoro-6-propoxythiochromeno[2,3-c]quinolin-12-one
CID 158249277
4-chloro-6-(propylamino)thiochromeno[2,3-c]quinolin-12-one
CID 175359513
2-[[6-methoxy-4-(4-methoxy-N-methylanilino)quinazolin-2-yl]amino]ethanol
CID 59242122
1-[2-(diethylamino)ethylamino]-7-methoxythioxanthen-9-one
CID 22915306
2-[[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amino]ethanol
CID 171988113
3-[[2-(2,4-dimethoxyanilino)quinazolin-4-yl]amino]propan-1-ol;hydrochloride
CID 52995704
2-methoxy-5H-naphtho[2,3-c]phenothiazine-8,13-dione
CID 15476449

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethylamino)-10-methoxythiochromeno[2,3-c]quinolin-12-one?
The IUPAC name of 6-(2-hydroxyethylamino)-10-methoxythiochromeno[2,3-c]quinolin-12-one (CID 139572274) is 6-(2-hydroxyethylamino)-10-methoxythiochromeno[2,3-c]quinolin-12-one.
What is the SMILES notation for 6-(2-hydroxyethylamino)-10-methoxythiochromeno[2,3-c]quinolin-12-one?
The canonical SMILES for 6-(2-hydroxyethylamino)-10-methoxythiochromeno[2,3-c]quinolin-12-one is COc1ccc2sc3c(NCCO)nc4ccccc4c3c(=O)c2c1.
What is the InChIKey of 6-(2-hydroxyethylamino)-10-methoxythiochromeno[2,3-c]quinolin-12-one?
The InChIKey is GVXJRBIDHPKTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-24-11-6-7-15-13(10-11)17(23)16-12-4-2-3-5-14(12)21-19(18(16)25-15)20-8-9-22/h2-7,10,22H,8-9H2,1H3,(H,20,21).
What are the key properties of 6-(2-hydroxyethylamino)-10-methoxythiochromeno[2,3-c]quinolin-12-one?
6-(2-hydroxyethylamino)-10-methoxythiochromeno[2,3-c]quinolin-12-one has a molecular weight of 352.42 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethylamino)-10-methoxythiochromeno[2,3-c]quinolin-12-one is sourced from PubChem (CID 139572274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).