6-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide

C22H25N3O4S — CID 33078123

IUPAC6-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)Nc3ccc(S(=O)(=O)N(C)C(C)C)cc3)cc2c1
InChIInChI=1S/C22H25N3O4S/c1-14(2)25(4)30(27,28)19-9-6-17(7-10-19)24-22(26)20-13-16-12-18(29-5)8-11-21(16)23-15(20)3/h6-14H,1-5H3,(H,24,26)
InChIKeyDGIXJRIXLUKGHD-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.83
Rot. Bonds6

About 6-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide

6-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide (PubChem CID 33078123) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide
PubChem CID33078123
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name6-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)Nc3ccc(S(=O)(=O)N(C)C(C)C)cc3)cc2c1
InChIInChI=1S/C22H25N3O4S/c1-14(2)25(4)30(27,28)19-9-6-17(7-10-19)24-22(26)20-13-16-12-18(29-5)8-11-21(16)23-15(20)3/h6-14H,1-5H3,(H,24,26)
InChIKeyDGIXJRIXLUKGHD-UHFFFAOYSA-N
XLogP3.83
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide?
The IUPAC name of 6-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide (CID 33078123) is 6-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide.
What is the SMILES notation for 6-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide?
The canonical SMILES for 6-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide is COc1ccc2nc(C)c(C(=O)Nc3ccc(S(=O)(=O)N(C)C(C)C)cc3)cc2c1.
What is the InChIKey of 6-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide?
The InChIKey is DGIXJRIXLUKGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-14(2)25(4)30(27,28)19-9-6-17(7-10-19)24-22(26)20-13-16-12-18(29-5)8-11-21(16)23-15(20)3/h6-14H,1-5H3,(H,24,26).
What are the key properties of 6-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide?
6-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 33078123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).