3-cyano-6,7-dimethoxy-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline

C18H17N5O4S — CID 166703667

IUPAC3-cyano-6,7-dimethoxy-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline
SMILESCOc1cc2ncc(C#N)c(-c3ccc(CNS(N)(=O)=O)nc3)c2cc1OC
InChIInChI=1S/C18H17N5O4S/c1-26-16-5-14-15(6-17(16)27-2)22-9-12(7-19)18(14)11-3-4-13(21-8-11)10-23-28(20,24)25/h3-6,8-9,23H,10H2,1-2H3,(H2,20,24,25)
InChIKeySSZKRZBRXUKZOW-UHFFFAOYSA-N
MW399.43 g/mol
LogP1.48
Rot. Bonds6

About 3-cyano-6,7-dimethoxy-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline

3-cyano-6,7-dimethoxy-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline (PubChem CID 166703667) has the molecular formula C18H17N5O4S and a molecular weight of 399.43 g/mol. Its IUPAC name is 3-cyano-6,7-dimethoxy-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline.

Molecular Properties

Compound Name3-cyano-6,7-dimethoxy-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline
PubChem CID166703667
Molecular FormulaC18H17N5O4S
Molecular Weight399.43 g/mol
Exact Mass399.10
IUPAC Name3-cyano-6,7-dimethoxy-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline
SMILESCOc1cc2ncc(C#N)c(-c3ccc(CNS(N)(=O)=O)nc3)c2cc1OC
InChIInChI=1S/C18H17N5O4S/c1-26-16-5-14-15(6-17(16)27-2)22-9-12(7-19)18(14)11-3-4-13(21-8-11)10-23-28(20,24)25/h3-6,8-9,23H,10H2,1-2H3,(H2,20,24,25)
InChIKeySSZKRZBRXUKZOW-UHFFFAOYSA-N
XLogP1.48
TPSA140.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-cyano-6,7-dimethoxy-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline with MolForge

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Related Compounds

4-(4-bromophenyl)-6,7-dimethoxyquinoline-3-carbonitrile
CID 174463121
3-cyano-6-fluoro-7-methoxy-4-[4-[(sulfinoamino)methyl]phenyl]quinoline
CID 155099918
3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]propylsulfamoyl carbamate
CID 175452464
5-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]pentylsulfamoyl carbamate
CID 175452445
4-(dimethylamino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 11666049
6,7-dimethoxy-4-[6-[(sulfinoamino)methyl]-3-pyridinyl]quinoline
CID 155100128
4-(2,4-dihydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 22466547
4-(4-aminobutylamino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 156824049
3-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]propylsulfamoylcarbamic acid
CID 166693177
4-(4-bromophenyl)sulfonylsulfanyl-6,7-dimethoxyquinoline-3-carbonitrile
CID 141004579
(4-chloro-3-cyano-7-methoxyquinolin-6-yl) acetate
CID 59164220
4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328853

Frequently Asked Questions

What is the IUPAC name of 3-cyano-6,7-dimethoxy-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline?
The IUPAC name of 3-cyano-6,7-dimethoxy-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline (CID 166703667) is 3-cyano-6,7-dimethoxy-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline.
What is the SMILES notation for 3-cyano-6,7-dimethoxy-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline?
The canonical SMILES for 3-cyano-6,7-dimethoxy-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline is COc1cc2ncc(C#N)c(-c3ccc(CNS(N)(=O)=O)nc3)c2cc1OC.
What is the InChIKey of 3-cyano-6,7-dimethoxy-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline?
The InChIKey is SSZKRZBRXUKZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4S/c1-26-16-5-14-15(6-17(16)27-2)22-9-12(7-19)18(14)11-3-4-13(21-8-11)10-23-28(20,24)25/h3-6,8-9,23H,10H2,1-2H3,(H2,20,24,25).
What are the key properties of 3-cyano-6,7-dimethoxy-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline?
3-cyano-6,7-dimethoxy-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline has a molecular weight of 399.43 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-6,7-dimethoxy-4-[6-[(sulfamoylamino)methyl]-3-pyridinyl]quinoline is sourced from PubChem (CID 166703667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).