6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one

C26H25NO6S — CID 2140958

IUPAC6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
SMILESCOc1cccc(Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3cc(OC)c(OC)cc32)c1
InChIInChI=1S/C26H25NO6S/c1-17-8-10-20(11-9-17)34(29,30)25-16-27(15-18-6-5-7-19(12-18)31-2)22-14-24(33-4)23(32-3)13-21(22)26(25)28/h5-14,16H,15H2,1-4H3
InChIKeyLCSAFFVYWBNDND-UHFFFAOYSA-N
MW479.55 g/mol
LogP4.22
Rot. Bonds7

About 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one

6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one (PubChem CID 2140958) has the molecular formula C26H25NO6S and a molecular weight of 479.55 g/mol. Its IUPAC name is 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
PubChem CID2140958
Molecular FormulaC26H25NO6S
Molecular Weight479.55 g/mol
Exact Mass479.14
IUPAC Name6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
SMILESCOc1cccc(Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3cc(OC)c(OC)cc32)c1
InChIInChI=1S/C26H25NO6S/c1-17-8-10-20(11-9-17)34(29,30)25-16-27(15-18-6-5-7-19(12-18)31-2)22-14-24(33-4)23(32-3)13-21(22)26(25)28/h5-14,16H,15H2,1-4H3
InChIKeyLCSAFFVYWBNDND-UHFFFAOYSA-N
XLogP4.22
TPSA83.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.55
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 20874594
6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-(4-propan-2-ylphenyl)sulfonylquinolin-4-one
CID 2138645
1-[(3-methoxyphenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one
CID 20950265
6-ethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonylquinolin-4-one
CID 18560118
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2137061
6,7-difluoro-1-[(3-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 18559374
3-(4-fluorophenyl)sulfonyl-6-methoxy-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2137140
6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]quinolin-4-one
CID 2137277
3-(4-chlorophenyl)sulfonyl-6-ethoxy-1-[(3-methoxyphenyl)methyl]quinolin-4-one
CID 20874595
3-(4-ethoxyphenyl)sulfonyl-6-methoxy-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2135099
6-fluoro-3-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2138212
3-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-6-methoxyquinolin-4-one
CID 2136742

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one?
The IUPAC name of 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one (CID 2140958) is 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one?
The canonical SMILES for 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one is COc1cccc(Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3cc(OC)c(OC)cc32)c1.
What is the InChIKey of 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one?
The InChIKey is LCSAFFVYWBNDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO6S/c1-17-8-10-20(11-9-17)34(29,30)25-16-27(15-18-6-5-7-19(12-18)31-2)22-14-24(33-4)23(32-3)13-21(22)26(25)28/h5-14,16H,15H2,1-4H3.
What are the key properties of 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one?
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one has a molecular weight of 479.55 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one is sourced from PubChem (CID 2140958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).