[6-methoxy-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-(4-methoxyphenyl)methanone

C25H21NO6S — CID 2137538

IUPAC[6-methoxy-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cnc3ccc(OC)cc3c2S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H21NO6S/c1-30-17-6-4-16(5-7-17)24(27)22-15-26-23-13-10-19(32-3)14-21(23)25(22)33(28,29)20-11-8-18(31-2)9-12-20/h4-15H,1-3H3
InChIKeyBGYZVLQKWXGQPN-UHFFFAOYSA-N
MW463.51 g/mol
LogP4.32
Rot. Bonds7

About [6-methoxy-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-(4-methoxyphenyl)methanone

[6-methoxy-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 2137538) has the molecular formula C25H21NO6S and a molecular weight of 463.51 g/mol. Its IUPAC name is [6-methoxy-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[6-methoxy-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-(4-methoxyphenyl)methanone
PubChem CID2137538
Molecular FormulaC25H21NO6S
Molecular Weight463.51 g/mol
Exact Mass463.11
IUPAC Name[6-methoxy-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cnc3ccc(OC)cc3c2S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H21NO6S/c1-30-17-6-4-16(5-7-17)24(27)22-15-26-23-13-10-19(32-3)14-21(23)25(22)33(28,29)20-11-8-18(31-2)9-12-20/h4-15H,1-3H3
InChIKeyBGYZVLQKWXGQPN-UHFFFAOYSA-N
XLogP4.32
TPSA91.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-methoxy-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [6-methoxy-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-(4-methoxyphenyl)methanone (CID 2137538) is [6-methoxy-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [6-methoxy-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [6-methoxy-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cnc3ccc(OC)cc3c2S(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of [6-methoxy-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is BGYZVLQKWXGQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO6S/c1-30-17-6-4-16(5-7-17)24(27)22-15-26-23-13-10-19(32-3)14-21(23)25(22)33(28,29)20-11-8-18(31-2)9-12-20/h4-15H,1-3H3.
What are the key properties of [6-methoxy-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-(4-methoxyphenyl)methanone?
[6-methoxy-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 463.51 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-4-(4-methoxyphenyl)sulfonylquinolin-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 2137538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).