7-methoxy-3-[4-(methylamino)phenyl]thiochromen-2-one

C17H15NO2S — CID 145263202

IUPAC7-methoxy-3-[4-(methylamino)phenyl]thiochromen-2-one
SMILESCNc1ccc(-c2cc3ccc(OC)cc3sc2=O)cc1
InChIInChI=1S/C17H15NO2S/c1-18-13-6-3-11(4-7-13)15-9-12-5-8-14(20-2)10-16(12)21-17(15)19/h3-10,18H,1-2H3
InChIKeyIRGRPIWEVBPXQZ-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.98
Rot. Bonds3

About 7-methoxy-3-[4-(methylamino)phenyl]thiochromen-2-one

7-methoxy-3-[4-(methylamino)phenyl]thiochromen-2-one (PubChem CID 145263202) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 7-methoxy-3-[4-(methylamino)phenyl]thiochromen-2-one.

Molecular Properties

Compound Name7-methoxy-3-[4-(methylamino)phenyl]thiochromen-2-one
PubChem CID145263202
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name7-methoxy-3-[4-(methylamino)phenyl]thiochromen-2-one
SMILESCNc1ccc(-c2cc3ccc(OC)cc3sc2=O)cc1
InChIInChI=1S/C17H15NO2S/c1-18-13-6-3-11(4-7-13)15-9-12-5-8-14(20-2)10-16(12)21-17(15)19/h3-10,18H,1-2H3
InChIKeyIRGRPIWEVBPXQZ-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 46947162
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CID 67007897
7-[2-hydroxy-3-[3-(4-methylphenyl)-2-oxothiochromen-7-yl]oxypropoxy]-3-(4-methylphenyl)thiochromen-2-one
CID 155236230
6-methoxy-N-methylnaphthalen-2-amine
CID 20594775
7-methoxy-3-[(7-methoxy-2-oxothiochromen-3-yl)sulfonylmethylsulfonyl]thiochromen-2-one
CID 87164611
4-(6-methoxyquinolin-2-yl)-N-methylaniline
CID 46931568
1-(6-methoxy-1-benzothiophen-2-yl)-N-methylethanamine
CID 117196028
7-methoxy-3-[2-(4-methoxyphenyl)ethenylsulfonyl]thiochromen-2-one
CID 90684753
7-methoxy-4-[4-(methylamino)phenyl]-2H-phthalazin-1-one
CID 175357159
6-methoxy-2-[4-(trifluoromethoxy)phenyl]-1-benzothiophene
CID 90343137
3-(4-chlorophenyl)thiochromen-2-one
CID 134101391
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 46845966

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[4-(methylamino)phenyl]thiochromen-2-one?
The IUPAC name of 7-methoxy-3-[4-(methylamino)phenyl]thiochromen-2-one (CID 145263202) is 7-methoxy-3-[4-(methylamino)phenyl]thiochromen-2-one.
What is the SMILES notation for 7-methoxy-3-[4-(methylamino)phenyl]thiochromen-2-one?
The canonical SMILES for 7-methoxy-3-[4-(methylamino)phenyl]thiochromen-2-one is CNc1ccc(-c2cc3ccc(OC)cc3sc2=O)cc1.
What is the InChIKey of 7-methoxy-3-[4-(methylamino)phenyl]thiochromen-2-one?
The InChIKey is IRGRPIWEVBPXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-18-13-6-3-11(4-7-13)15-9-12-5-8-14(20-2)10-16(12)21-17(15)19/h3-10,18H,1-2H3.
What are the key properties of 7-methoxy-3-[4-(methylamino)phenyl]thiochromen-2-one?
7-methoxy-3-[4-(methylamino)phenyl]thiochromen-2-one has a molecular weight of 297.38 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[4-(methylamino)phenyl]thiochromen-2-one is sourced from PubChem (CID 145263202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).