N-(1H-indazol-5-ylmethyl)-8-(methyldisulfanyl)quinoline-5-carboxamide

C19H16N4OS2 — CID 74762755

IUPACN-(1H-indazol-5-ylmethyl)-8-(methyldisulfanyl)quinoline-5-carboxamide
SMILESCSSc1ccc(C(=O)NCc2ccc3[nH]ncc3c2)c2cccnc12
InChIInChI=1S/C19H16N4OS2/c1-25-26-17-7-5-15(14-3-2-8-20-18(14)17)19(24)21-10-12-4-6-16-13(9-12)11-22-23-16/h2-9,11H,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyJBLGQFVUOVXKPG-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.41
Rot. Bonds5

About N-(1H-indazol-5-ylmethyl)-8-(methyldisulfanyl)quinoline-5-carboxamide

N-(1H-indazol-5-ylmethyl)-8-(methyldisulfanyl)quinoline-5-carboxamide (PubChem CID 74762755) has the molecular formula C19H16N4OS2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-(1H-indazol-5-ylmethyl)-8-(methyldisulfanyl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-5-ylmethyl)-8-(methyldisulfanyl)quinoline-5-carboxamide
PubChem CID74762755
Molecular FormulaC19H16N4OS2
Molecular Weight380.50 g/mol
Exact Mass380.08
IUPAC NameN-(1H-indazol-5-ylmethyl)-8-(methyldisulfanyl)quinoline-5-carboxamide
SMILESCSSc1ccc(C(=O)NCc2ccc3[nH]ncc3c2)c2cccnc12
InChIInChI=1S/C19H16N4OS2/c1-25-26-17-7-5-15(14-3-2-8-20-18(14)17)19(24)21-10-12-4-6-16-13(9-12)11-22-23-16/h2-9,11H,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyJBLGQFVUOVXKPG-UHFFFAOYSA-N
XLogP4.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzothiophen-5-ylmethyl)-8-(methyldisulfanyl)quinoline-5-carboxamide
CID 74762753
N-(1H-indazol-5-ylmethyl)propanamide
CID 165111571
N-[(2S)-1-amino-1-oxopropan-2-yl]-8-(methyldisulfanyl)quinoline-5-carboxamide
CID 90112826
tert-butyl N-(1H-indazol-5-ylmethyl)carbamate
CID 59462463
N-[(1-carbamoyl-2,3-dihydroindol-2-yl)methyl]-8-(methyldisulfanyl)quinoline-5-carboxamide
CID 74762823
8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]quinoline-7-carboxamide
CID 18372541
N-[(4-tert-butylphenyl)methyl]-1H-indazole-5-carboxamide
CID 22933798
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-5-carboxamide
CID 75503534
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 25487904
N-(1H-indazol-6-ylmethyl)-2-phenylacetamide
CID 110472122
N-[(2-methoxy-4-pyridinyl)methyl]-1H-indazole-6-carboxamide
CID 60721835
8-(methyldisulfanyl)-N-[2-(2-propan-2-ylphenyl)ethyl]quinoline-4-carboxamide
CID 74762751

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-ylmethyl)-8-(methyldisulfanyl)quinoline-5-carboxamide?
The IUPAC name of N-(1H-indazol-5-ylmethyl)-8-(methyldisulfanyl)quinoline-5-carboxamide (CID 74762755) is N-(1H-indazol-5-ylmethyl)-8-(methyldisulfanyl)quinoline-5-carboxamide.
What is the SMILES notation for N-(1H-indazol-5-ylmethyl)-8-(methyldisulfanyl)quinoline-5-carboxamide?
The canonical SMILES for N-(1H-indazol-5-ylmethyl)-8-(methyldisulfanyl)quinoline-5-carboxamide is CSSc1ccc(C(=O)NCc2ccc3[nH]ncc3c2)c2cccnc12.
What is the InChIKey of N-(1H-indazol-5-ylmethyl)-8-(methyldisulfanyl)quinoline-5-carboxamide?
The InChIKey is JBLGQFVUOVXKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS2/c1-25-26-17-7-5-15(14-3-2-8-20-18(14)17)19(24)21-10-12-4-6-16-13(9-12)11-22-23-16/h2-9,11H,10H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-(1H-indazol-5-ylmethyl)-8-(methyldisulfanyl)quinoline-5-carboxamide?
N-(1H-indazol-5-ylmethyl)-8-(methyldisulfanyl)quinoline-5-carboxamide has a molecular weight of 380.50 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-ylmethyl)-8-(methyldisulfanyl)quinoline-5-carboxamide is sourced from PubChem (CID 74762755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).