N-(2,4-dimethoxyphenyl)-N-methylquinoline-8-sulfonamide

C18H18N2O4S — CID 3243130

IUPACN-(2,4-dimethoxyphenyl)-N-methylquinoline-8-sulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc3cccnc23)c(OC)c1
InChIInChI=1S/C18H18N2O4S/c1-20(15-10-9-14(23-2)12-16(15)24-3)25(21,22)17-8-4-6-13-7-5-11-19-18(13)17/h4-12H,1-3H3
InChIKeyPJCCJYDOOSQLGE-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.08
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-N-methylquinoline-8-sulfonamide

N-(2,4-dimethoxyphenyl)-N-methylquinoline-8-sulfonamide (PubChem CID 3243130) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N-methylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N-methylquinoline-8-sulfonamide
PubChem CID3243130
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-(2,4-dimethoxyphenyl)-N-methylquinoline-8-sulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc3cccnc23)c(OC)c1
InChIInChI=1S/C18H18N2O4S/c1-20(15-10-9-14(23-2)12-16(15)24-3)25(21,22)17-8-4-6-13-7-5-11-19-18(13)17/h4-12H,1-3H3
InChIKeyPJCCJYDOOSQLGE-UHFFFAOYSA-N
XLogP3.08
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-N-methylquinoline-8-sulfonamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N-methylquinoline-8-sulfonamide (CID 3243130) is N-(2,4-dimethoxyphenyl)-N-methylquinoline-8-sulfonamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N-methylquinoline-8-sulfonamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N-methylquinoline-8-sulfonamide is COc1ccc(N(C)S(=O)(=O)c2cccc3cccnc23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N-methylquinoline-8-sulfonamide?
The InChIKey is PJCCJYDOOSQLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-20(15-10-9-14(23-2)12-16(15)24-3)25(21,22)17-8-4-6-13-7-5-11-19-18(13)17/h4-12H,1-3H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-N-methylquinoline-8-sulfonamide?
N-(2,4-dimethoxyphenyl)-N-methylquinoline-8-sulfonamide has a molecular weight of 358.42 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N-methylquinoline-8-sulfonamide is sourced from PubChem (CID 3243130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).