4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide

C19H18N4O4S — CID 139504783

IUPAC4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide
SMILESCOc1cc2ncc3ncn(Cc4ccc(S(N)(=O)=O)cc4)c3c2cc1OC
InChIInChI=1S/C19H18N4O4S/c1-26-17-7-14-15(8-18(17)27-2)21-9-16-19(14)23(11-22-16)10-12-3-5-13(6-4-12)28(20,24)25/h3-9,11H,10H2,1-2H3,(H2,20,24,25)
InChIKeyJSUBILDIWOCLJS-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.30
Rot. Bonds5

About 4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide

4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide (PubChem CID 139504783) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is 4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide
PubChem CID139504783
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide
SMILESCOc1cc2ncc3ncn(Cc4ccc(S(N)(=O)=O)cc4)c3c2cc1OC
InChIInChI=1S/C19H18N4O4S/c1-26-17-7-14-15(8-18(17)27-2)21-9-16-19(14)23(11-22-16)10-12-3-5-13(6-4-12)28(20,24)25/h3-9,11H,10H2,1-2H3,(H2,20,24,25)
InChIKeyJSUBILDIWOCLJS-UHFFFAOYSA-N
XLogP2.30
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide (CID 139504783) is 4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide is COc1cc2ncc3ncn(Cc4ccc(S(N)(=O)=O)cc4)c3c2cc1OC.
What is the InChIKey of 4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide?
The InChIKey is JSUBILDIWOCLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-26-17-7-14-15(8-18(17)27-2)21-9-16-19(14)23(11-22-16)10-12-3-5-13(6-4-12)28(20,24)25/h3-9,11H,10H2,1-2H3,(H2,20,24,25).
What are the key properties of 4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide?
4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide has a molecular weight of 398.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7,8-dimethoxyimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 139504783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).