6-[(7,8-dimethoxy-2,4-dimethylimidazo[4,5-c]quinolin-1-yl)methyl]pyridine-3-sulfonamide

C20H21N5O4S — CID 177375405

IUPAC6-[(7,8-dimethoxy-2,4-dimethylimidazo[4,5-c]quinolin-1-yl)methyl]pyridine-3-sulfonamide
SMILESCOc1cc2nc(C)c3nc(C)n(Cc4ccc(S(N)(=O)=O)cn4)c3c2cc1OC
InChIInChI=1S/C20H21N5O4S/c1-11-19-20(15-7-17(28-3)18(29-4)8-16(15)23-11)25(12(2)24-19)10-13-5-6-14(9-22-13)30(21,26)27/h5-9H,10H2,1-4H3,(H2,21,26,27)
InChIKeyAOMXFFBTDVKVJH-UHFFFAOYSA-N
MW427.49 g/mol
LogP2.31
Rot. Bonds5

About 6-[(7,8-dimethoxy-2,4-dimethylimidazo[4,5-c]quinolin-1-yl)methyl]pyridine-3-sulfonamide

6-[(7,8-dimethoxy-2,4-dimethylimidazo[4,5-c]quinolin-1-yl)methyl]pyridine-3-sulfonamide (PubChem CID 177375405) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is 6-[(7,8-dimethoxy-2,4-dimethylimidazo[4,5-c]quinolin-1-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(7,8-dimethoxy-2,4-dimethylimidazo[4,5-c]quinolin-1-yl)methyl]pyridine-3-sulfonamide
PubChem CID177375405
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC Name6-[(7,8-dimethoxy-2,4-dimethylimidazo[4,5-c]quinolin-1-yl)methyl]pyridine-3-sulfonamide
SMILESCOc1cc2nc(C)c3nc(C)n(Cc4ccc(S(N)(=O)=O)cn4)c3c2cc1OC
InChIInChI=1S/C20H21N5O4S/c1-11-19-20(15-7-17(28-3)18(29-4)8-16(15)23-11)25(12(2)24-19)10-13-5-6-14(9-22-13)30(21,26)27/h5-9H,10H2,1-4H3,(H2,21,26,27)
InChIKeyAOMXFFBTDVKVJH-UHFFFAOYSA-N
XLogP2.31
TPSA122.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(7,8-dimethoxy-2,4-dimethylimidazo[4,5-c]quinolin-1-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-[(7,8-dimethoxy-2,4-dimethylimidazo[4,5-c]quinolin-1-yl)methyl]pyridine-3-sulfonamide (CID 177375405) is 6-[(7,8-dimethoxy-2,4-dimethylimidazo[4,5-c]quinolin-1-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[(7,8-dimethoxy-2,4-dimethylimidazo[4,5-c]quinolin-1-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[(7,8-dimethoxy-2,4-dimethylimidazo[4,5-c]quinolin-1-yl)methyl]pyridine-3-sulfonamide is COc1cc2nc(C)c3nc(C)n(Cc4ccc(S(N)(=O)=O)cn4)c3c2cc1OC.
What is the InChIKey of 6-[(7,8-dimethoxy-2,4-dimethylimidazo[4,5-c]quinolin-1-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is AOMXFFBTDVKVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-11-19-20(15-7-17(28-3)18(29-4)8-16(15)23-11)25(12(2)24-19)10-13-5-6-14(9-22-13)30(21,26)27/h5-9H,10H2,1-4H3,(H2,21,26,27).
What are the key properties of 6-[(7,8-dimethoxy-2,4-dimethylimidazo[4,5-c]quinolin-1-yl)methyl]pyridine-3-sulfonamide?
6-[(7,8-dimethoxy-2,4-dimethylimidazo[4,5-c]quinolin-1-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 427.49 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(7,8-dimethoxy-2,4-dimethylimidazo[4,5-c]quinolin-1-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 177375405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).