N'-(3-cyano-4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-N-(4-sulfamoylphenyl)methanimidamide

C18H19N5O2S — CID 45481828

IUPACN'-(3-cyano-4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-N-(4-sulfamoylphenyl)methanimidamide
SMILESCc1c(C#N)c(/N=C/Nc2ccc(S(N)(=O)=O)cc2)nc2c1CCCC2
InChIInChI=1S/C18H19N5O2S/c1-12-15-4-2-3-5-17(15)23-18(16(12)10-19)22-11-21-13-6-8-14(9-7-13)26(20,24)25/h6-9,11H,2-5H2,1H3,(H2,20,24,25)(H,21,22,23)
InChIKeyVCHJXXVIECKJRH-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.56
Rot. Bonds4

About N'-(3-cyano-4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-N-(4-sulfamoylphenyl)methanimidamide

N'-(3-cyano-4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-N-(4-sulfamoylphenyl)methanimidamide (PubChem CID 45481828) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N'-(3-cyano-4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-N-(4-sulfamoylphenyl)methanimidamide.

Molecular Properties

Compound NameN'-(3-cyano-4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-N-(4-sulfamoylphenyl)methanimidamide
PubChem CID45481828
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC NameN'-(3-cyano-4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-N-(4-sulfamoylphenyl)methanimidamide
SMILESCc1c(C#N)c(/N=C/Nc2ccc(S(N)(=O)=O)cc2)nc2c1CCCC2
InChIInChI=1S/C18H19N5O2S/c1-12-15-4-2-3-5-17(15)23-18(16(12)10-19)22-11-21-13-6-8-14(9-7-13)26(20,24)25/h6-9,11H,2-5H2,1H3,(H2,20,24,25)(H,21,22,23)
InChIKeyVCHJXXVIECKJRH-UHFFFAOYSA-N
XLogP2.56
TPSA121.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-cyano-4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-N-(4-sulfamoylphenyl)methanimidamide?
The IUPAC name of N'-(3-cyano-4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-N-(4-sulfamoylphenyl)methanimidamide (CID 45481828) is N'-(3-cyano-4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-N-(4-sulfamoylphenyl)methanimidamide.
What is the SMILES notation for N'-(3-cyano-4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-N-(4-sulfamoylphenyl)methanimidamide?
The canonical SMILES for N'-(3-cyano-4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-N-(4-sulfamoylphenyl)methanimidamide is Cc1c(C#N)c(/N=C/Nc2ccc(S(N)(=O)=O)cc2)nc2c1CCCC2.
What is the InChIKey of N'-(3-cyano-4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-N-(4-sulfamoylphenyl)methanimidamide?
The InChIKey is VCHJXXVIECKJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-12-15-4-2-3-5-17(15)23-18(16(12)10-19)22-11-21-13-6-8-14(9-7-13)26(20,24)25/h6-9,11H,2-5H2,1H3,(H2,20,24,25)(H,21,22,23).
What are the key properties of N'-(3-cyano-4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-N-(4-sulfamoylphenyl)methanimidamide?
N'-(3-cyano-4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-N-(4-sulfamoylphenyl)methanimidamide has a molecular weight of 369.45 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyano-4-methyl-5,6,7,8-tetrahydroquinolin-2-yl)-N-(4-sulfamoylphenyl)methanimidamide is sourced from PubChem (CID 45481828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).