(4-ethoxyphenyl)-(6-methoxy-2-methylsulfonylquinolin-5-yl)methanone

C20H19NO5S — CID 22139727

IUPAC(4-ethoxyphenyl)-(6-methoxy-2-methylsulfonylquinolin-5-yl)methanone
SMILESCCOc1ccc(C(=O)c2c(OC)ccc3nc(S(C)(=O)=O)ccc23)cc1
InChIInChI=1S/C20H19NO5S/c1-4-26-14-7-5-13(6-8-14)20(22)19-15-9-12-18(27(3,23)24)21-16(15)10-11-17(19)25-2/h5-12H,4H2,1-3H3
InChIKeyFAOQQCLMOCEISC-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.28
Rot. Bonds6

About (4-ethoxyphenyl)-(6-methoxy-2-methylsulfonylquinolin-5-yl)methanone

(4-ethoxyphenyl)-(6-methoxy-2-methylsulfonylquinolin-5-yl)methanone (PubChem CID 22139727) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(6-methoxy-2-methylsulfonylquinolin-5-yl)methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(6-methoxy-2-methylsulfonylquinolin-5-yl)methanone
PubChem CID22139727
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC Name(4-ethoxyphenyl)-(6-methoxy-2-methylsulfonylquinolin-5-yl)methanone
SMILESCCOc1ccc(C(=O)c2c(OC)ccc3nc(S(C)(=O)=O)ccc23)cc1
InChIInChI=1S/C20H19NO5S/c1-4-26-14-7-5-13(6-8-14)20(22)19-15-9-12-18(27(3,23)24)21-16(15)10-11-17(19)25-2/h5-12H,4H2,1-3H3
InChIKeyFAOQQCLMOCEISC-UHFFFAOYSA-N
XLogP3.28
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(6-methoxy-2-methylsulfonylquinolin-5-yl)methanone?
The IUPAC name of (4-ethoxyphenyl)-(6-methoxy-2-methylsulfonylquinolin-5-yl)methanone (CID 22139727) is (4-ethoxyphenyl)-(6-methoxy-2-methylsulfonylquinolin-5-yl)methanone.
What is the SMILES notation for (4-ethoxyphenyl)-(6-methoxy-2-methylsulfonylquinolin-5-yl)methanone?
The canonical SMILES for (4-ethoxyphenyl)-(6-methoxy-2-methylsulfonylquinolin-5-yl)methanone is CCOc1ccc(C(=O)c2c(OC)ccc3nc(S(C)(=O)=O)ccc23)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(6-methoxy-2-methylsulfonylquinolin-5-yl)methanone?
The InChIKey is FAOQQCLMOCEISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-4-26-14-7-5-13(6-8-14)20(22)19-15-9-12-18(27(3,23)24)21-16(15)10-11-17(19)25-2/h5-12H,4H2,1-3H3.
What are the key properties of (4-ethoxyphenyl)-(6-methoxy-2-methylsulfonylquinolin-5-yl)methanone?
(4-ethoxyphenyl)-(6-methoxy-2-methylsulfonylquinolin-5-yl)methanone has a molecular weight of 385.44 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(6-methoxy-2-methylsulfonylquinolin-5-yl)methanone is sourced from PubChem (CID 22139727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).