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

C24H19F3N4O5S — CID 10230286

IUPACN-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2cccnc2)c2c(C(=O)NO)cnc3cc(C(F)(F)F)ccc23)cc1
InChIInChI=1S/C24H19F3N4O5S/c1-36-17-5-7-18(8-6-17)37(34,35)31(14-15-3-2-10-28-12-15)22-19-9-4-16(24(25,26)27)11-21(19)29-13-20(22)23(32)30-33/h2-13,33H,14H2,1H3,(H,30,32)
InChIKeyNVQUYHFBHXGQLL-UHFFFAOYSA-N
MW532.50 g/mol
LogP4.17
Rot. Bonds7

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

N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 10230286) has the molecular formula C24H19F3N4O5S and a molecular weight of 532.50 g/mol. Its IUPAC name is N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID10230286
Molecular FormulaC24H19F3N4O5S
Molecular Weight532.50 g/mol
Exact Mass532.10
IUPAC NameN-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2cccnc2)c2c(C(=O)NO)cnc3cc(C(F)(F)F)ccc23)cc1
InChIInChI=1S/C24H19F3N4O5S/c1-36-17-5-7-18(8-6-17)37(34,35)31(14-15-3-2-10-28-12-15)22-19-9-4-16(24(25,26)27)11-21(19)29-13-20(22)23(32)30-33/h2-13,33H,14H2,1H3,(H,30,32)
InChIKeyNVQUYHFBHXGQLL-UHFFFAOYSA-N
XLogP4.17
TPSA121.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.50
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Way-151693
CID 4368
4-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-8-(trifluoromethyl)quinoline-3-carboxamide
CID 10119294
N-hydroxy-8-methoxy-4-(4-methoxy-N-(pyridin-3-ylmethyl)phenylsulfonamido)quinoline-3-carboxamide
CID 10141426
8-bromo-N-hydroxy-4-(4-methoxy-N-(pyridin-3-ylmethyl)phenylsulfonamido)quinoline-3-carboxamide
CID 10165868
6-(Dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide
CID 11304132
N-hydroxy-4-(N-methyl-4-(pyridin-4-yloxy)phenylsulfonamido)quinoline-3-carboxamide
CID 10321516
N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-amino]-3-methyl-5-naphthalen-2-yl-benzamide
CID 44309329
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-5-[3-(trifluoromethyl)phenyl]benzamide
CID 44309330
N-hydroxy-8-iodo-4-(4-methoxy-N-(pyridin-3-ylmethyl)phenylsulfonamido)quinoline-3-carboxamide
CID 9808594
4-(4-(but-2-ynyloxy)-N-methylphenylsulfonamido)-N-hydroxy-8-methoxyquinoline-3-carboxamide
CID 9825237
8-bromo-4-(4-(but-2-ynyloxy)-N-methylphenylsulfonamido)-N-hydroxyquinoline-3-carboxamide
CID 9892336
4-[Pyridin-3-ylmethyl-(toluene-4-sulfonyl)-amino]-7-trifluoromethyl-quinoline-3-carboxylic acid hydroxyamide
CID 10118633

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide (CID 10230286) is N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide is COc1ccc(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-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is NVQUYHFBHXGQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O5S/c1-36-17-5-7-18(8-6-17)37(34,35)31(14-15-3-2-10-28-12-15)22-19-9-4-16(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-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide?
N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 532.50 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 10230286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).