methane;N-methyl-1-[4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]phenyl]methanesulfonamide

C20H21N5O3S — CID 159314724

IUPACmethane;N-methyl-1-[4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]phenyl]methanesulfonamide
SMILESC.CNS(=O)(=O)Cc1ccc(/N=N/c2c(=O)[nH]c3ccc4[nH]cccc4c23)cc1
InChIInChI=1S/C19H17N5O3S.CH4/c1-20-28(26,27)11-12-4-6-13(7-5-12)23-24-18-17-14-3-2-10-21-15(14)8-9-16(17)22-19(18)25;/h2-10,20-21H,11H2,1H3,(H,22,25);1H4/b24-23+;
InChIKeyMBIMJAZMJKEUHE-XMXXDQCKSA-N
MW411.49 g/mol
LogP4.11
Rot. Bonds5

About methane;N-methyl-1-[4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]phenyl]methanesulfonamide

methane;N-methyl-1-[4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]phenyl]methanesulfonamide (PubChem CID 159314724) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is methane;N-methyl-1-[4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Namemethane;N-methyl-1-[4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]phenyl]methanesulfonamide
PubChem CID159314724
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC Namemethane;N-methyl-1-[4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]phenyl]methanesulfonamide
SMILESC.CNS(=O)(=O)Cc1ccc(/N=N/c2c(=O)[nH]c3ccc4[nH]cccc4c23)cc1
InChIInChI=1S/C19H17N5O3S.CH4/c1-20-28(26,27)11-12-4-6-13(7-5-12)23-24-18-17-14-3-2-10-21-15(14)8-9-16(17)22-19(18)25;/h2-10,20-21H,11H2,1H3,(H,22,25);1H4/b24-23+;
InChIKeyMBIMJAZMJKEUHE-XMXXDQCKSA-N
XLogP4.11
TPSA119.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methane;N-methyl-1-[4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]phenyl]methanesulfonamide?
The IUPAC name of methane;N-methyl-1-[4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]phenyl]methanesulfonamide (CID 159314724) is methane;N-methyl-1-[4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]phenyl]methanesulfonamide.
What is the SMILES notation for methane;N-methyl-1-[4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]phenyl]methanesulfonamide?
The canonical SMILES for methane;N-methyl-1-[4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]phenyl]methanesulfonamide is C.CNS(=O)(=O)Cc1ccc(/N=N/c2c(=O)[nH]c3ccc4[nH]cccc4c23)cc1.
What is the InChIKey of methane;N-methyl-1-[4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]phenyl]methanesulfonamide?
The InChIKey is MBIMJAZMJKEUHE-XMXXDQCKSA-N. The full InChI is InChI=1S/C19H17N5O3S.CH4/c1-20-28(26,27)11-12-4-6-13(7-5-12)23-24-18-17-14-3-2-10-21-15(14)8-9-16(17)22-19(18)25;/h2-10,20-21H,11H2,1H3,(H,22,25);1H4/b24-23+;.
What are the key properties of methane;N-methyl-1-[4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]phenyl]methanesulfonamide?
methane;N-methyl-1-[4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]phenyl]methanesulfonamide has a molecular weight of 411.49 g/mol, XLogP of 4.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-methyl-1-[4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 159314724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).