6-methoxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)thiochromen-4-one

C20H19NO2S — CID 7490245

IUPAC6-methoxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)thiochromen-4-one
SMILESCOc1ccc2scc(N3CCCc4cc(C)ccc43)c(=O)c2c1
InChIInChI=1S/C20H19NO2S/c1-13-5-7-17-14(10-13)4-3-9-21(17)18-12-24-19-8-6-15(23-2)11-16(19)20(18)22/h5-8,10-12H,3-4,9H2,1-2H3
InChIKeyHJLRNVVFEAHBHX-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.66
Rot. Bonds2

About 6-methoxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)thiochromen-4-one

6-methoxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)thiochromen-4-one (PubChem CID 7490245) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is 6-methoxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)thiochromen-4-one.

Molecular Properties

Compound Name6-methoxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)thiochromen-4-one
PubChem CID7490245
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name6-methoxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)thiochromen-4-one
SMILESCOc1ccc2scc(N3CCCc4cc(C)ccc43)c(=O)c2c1
InChIInChI=1S/C20H19NO2S/c1-13-5-7-17-14(10-13)4-3-9-21(17)18-12-24-19-8-6-15(23-2)11-16(19)20(18)22/h5-8,10-12H,3-4,9H2,1-2H3
InChIKeyHJLRNVVFEAHBHX-UHFFFAOYSA-N
XLogP4.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-3-(4-methylpiperazin-1-yl)thiochromen-4-one
CID 7552771
3-methoxy-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)cyclobut-3-ene-1,2-dione
CID 155926127
3-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methoxythiochromen-4-one
CID 7490241
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568097
1-(3-bromo-5-methylphenyl)-6-methoxy-3,4-dihydro-2H-quinoline;carbon dioxide
CID 161063774
1-(4-methoxy-2-methylphenyl)pyrrolidin-2-one
CID 25155815
4-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 63512094
3-amino-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 60989148
5-fluoro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde
CID 43312932
ethyl 4-(6-methyl-4-oxothiochromen-3-yl)piperazine-1-carboxylate
CID 7216443
4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 115468460
5-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzamide
CID 61305136

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)thiochromen-4-one?
The IUPAC name of 6-methoxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)thiochromen-4-one (CID 7490245) is 6-methoxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)thiochromen-4-one.
What is the SMILES notation for 6-methoxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)thiochromen-4-one?
The canonical SMILES for 6-methoxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)thiochromen-4-one is COc1ccc2scc(N3CCCc4cc(C)ccc43)c(=O)c2c1.
What is the InChIKey of 6-methoxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)thiochromen-4-one?
The InChIKey is HJLRNVVFEAHBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-13-5-7-17-14(10-13)4-3-9-21(17)18-12-24-19-8-6-15(23-2)11-16(19)20(18)22/h5-8,10-12H,3-4,9H2,1-2H3.
What are the key properties of 6-methoxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)thiochromen-4-one?
6-methoxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)thiochromen-4-one has a molecular weight of 337.44 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)thiochromen-4-one is sourced from PubChem (CID 7490245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).