N-(1H-imidazol-5-ylmethyl)-8-methylquinoline-5-sulfonamide

C14H14N4O2S — CID 104774039

IUPACN-(1H-imidazol-5-ylmethyl)-8-methylquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cnc[nH]2)c2cccnc12
InChIInChI=1S/C14H14N4O2S/c1-10-4-5-13(12-3-2-6-16-14(10)12)21(19,20)18-8-11-7-15-9-17-11/h2-7,9,18H,8H2,1H3,(H,15,17)
InChIKeyVDZJUQXCTQMFHZ-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.74
Rot. Bonds4

About N-(1H-imidazol-5-ylmethyl)-8-methylquinoline-5-sulfonamide

N-(1H-imidazol-5-ylmethyl)-8-methylquinoline-5-sulfonamide (PubChem CID 104774039) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-8-methylquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-8-methylquinoline-5-sulfonamide
PubChem CID104774039
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-(1H-imidazol-5-ylmethyl)-8-methylquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cnc[nH]2)c2cccnc12
InChIInChI=1S/C14H14N4O2S/c1-10-4-5-13(12-3-2-6-16-14(10)12)21(19,20)18-8-11-7-15-9-17-11/h2-7,9,18H,8H2,1H3,(H,15,17)
InChIKeyVDZJUQXCTQMFHZ-UHFFFAOYSA-N
XLogP1.74
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
CID 55559982
N-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride
CID 84591258
N-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide
CID 134034376
6-chloro-N-(1H-imidazol-5-ylmethyl)-8-methylquinolin-5-amine
CID 62763180
2-[(8-methylquinolin-5-yl)sulfonylamino]ethanethioamide
CID 104773629
8-methyl-N-(2-pyridin-2-ylethyl)quinoline-5-sulfonamide
CID 134034355
N-[2-(1H-imidazol-5-yl)ethyl]quinoline-8-sulfonamide
CID 4619893
2-[(8-methylquinolin-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 134002702
N-(2-amino-3-methylbutyl)-8-methylquinoline-5-sulfonamide;hydrochloride
CID 84591254
8-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-5-sulfonamide;hydrochloride
CID 119974304
8-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-5-sulfonamide
CID 55913382
3-[(8-methylquinolin-5-yl)sulfonylamino]propanimidamide
CID 104774314

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-8-methylquinoline-5-sulfonamide?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-8-methylquinoline-5-sulfonamide (CID 104774039) is N-(1H-imidazol-5-ylmethyl)-8-methylquinoline-5-sulfonamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-8-methylquinoline-5-sulfonamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-8-methylquinoline-5-sulfonamide is Cc1ccc(S(=O)(=O)NCc2cnc[nH]2)c2cccnc12.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-8-methylquinoline-5-sulfonamide?
The InChIKey is VDZJUQXCTQMFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-10-4-5-13(12-3-2-6-16-14(10)12)21(19,20)18-8-11-7-15-9-17-11/h2-7,9,18H,8H2,1H3,(H,15,17).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-8-methylquinoline-5-sulfonamide?
N-(1H-imidazol-5-ylmethyl)-8-methylquinoline-5-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-8-methylquinoline-5-sulfonamide is sourced from PubChem (CID 104774039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).