N-hydroxy-4-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide

C24H19F3N4O4S — CID 10118633

IUPACN-hydroxy-4-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cccnc2)c2c(C(=O)NO)cnc3cc(C(F)(F)F)ccc23)cc1
InChIInChI=1S/C24H19F3N4O4S/c1-15-4-7-18(8-5-15)36(34,35)31(14-16-3-2-10-28-12-16)22-19-9-6-17(24(25,26)27)11-21(19)29-13-20(22)23(32)30-33/h2-13,33H,14H2,1H3,(H,30,32)
InChIKeyNKZQXGVLDOUMQF-UHFFFAOYSA-N
MW516.50 g/mol
LogP4.47
Rot. Bonds6

About N-hydroxy-4-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide

N-hydroxy-4-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 10118633) has the molecular formula C24H19F3N4O4S and a molecular weight of 516.50 g/mol. Its IUPAC name is N-hydroxy-4-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID10118633
Molecular FormulaC24H19F3N4O4S
Molecular Weight516.50 g/mol
Exact Mass516.11
IUPAC NameN-hydroxy-4-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cccnc2)c2c(C(=O)NO)cnc3cc(C(F)(F)F)ccc23)cc1
InChIInChI=1S/C24H19F3N4O4S/c1-15-4-7-18(8-5-15)36(34,35)31(14-16-3-2-10-28-12-16)22-19-9-6-17(24(25,26)27)11-21(19)29-13-20(22)23(32)30-33/h2-13,33H,14H2,1H3,(H,30,32)
InChIKeyNKZQXGVLDOUMQF-UHFFFAOYSA-N
XLogP4.47
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.50
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-4-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of N-hydroxy-4-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide (CID 10118633) is N-hydroxy-4-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for N-hydroxy-4-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for N-hydroxy-4-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide is Cc1ccc(S(=O)(=O)N(Cc2cccnc2)c2c(C(=O)NO)cnc3cc(C(F)(F)F)ccc23)cc1.
What is the InChIKey of N-hydroxy-4-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is NKZQXGVLDOUMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O4S/c1-15-4-7-18(8-5-15)36(34,35)31(14-16-3-2-10-28-12-16)22-19-9-6-17(24(25,26)27)11-21(19)29-13-20(22)23(32)30-33/h2-13,33H,14H2,1H3,(H,30,32).
What are the key properties of N-hydroxy-4-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide?
N-hydroxy-4-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 516.50 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(4-methylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 10118633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).