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

C23H19BrN4O5S — CID 10165868

IUPAC8-bromo-N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]quinoline-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2cccnc2)c2c(C(=O)NO)cnc3c(Br)cccc23)cc1
InChIInChI=1S/C23H19BrN4O5S/c1-33-16-7-9-17(10-8-16)34(31,32)28(14-15-4-3-11-25-12-15)22-18-5-2-6-20(24)21(18)26-13-19(22)23(29)27-30/h2-13,30H,14H2,1H3,(H,27,29)
InChIKeyGKDAXRUOVHMLSA-UHFFFAOYSA-N
MW543.40 g/mol
LogP3.92
Rot. Bonds7

About 8-bromo-N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]quinoline-3-carboxamide

8-bromo-N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]quinoline-3-carboxamide (PubChem CID 10165868) has the molecular formula C23H19BrN4O5S and a molecular weight of 543.40 g/mol. Its IUPAC name is 8-bromo-N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]quinoline-3-carboxamide.

Molecular Properties

Compound Name8-bromo-N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]quinoline-3-carboxamide
PubChem CID10165868
Molecular FormulaC23H19BrN4O5S
Molecular Weight543.40 g/mol
Exact Mass542.03
IUPAC Name8-bromo-N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]quinoline-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2cccnc2)c2c(C(=O)NO)cnc3c(Br)cccc23)cc1
InChIInChI=1S/C23H19BrN4O5S/c1-33-16-7-9-17(10-8-16)34(31,32)28(14-15-4-3-11-25-12-15)22-18-5-2-6-20(24)21(18)26-13-19(22)23(29)27-30/h2-13,30H,14H2,1H3,(H,27,29)
InChIKeyGKDAXRUOVHMLSA-UHFFFAOYSA-N
XLogP3.92
TPSA121.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.40
LogP ≤ 53.92
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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Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]quinoline-3-carboxamide?
The IUPAC name of 8-bromo-N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]quinoline-3-carboxamide (CID 10165868) is 8-bromo-N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]quinoline-3-carboxamide.
What is the SMILES notation for 8-bromo-N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]quinoline-3-carboxamide?
The canonical SMILES for 8-bromo-N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]quinoline-3-carboxamide is COc1ccc(S(=O)(=O)N(Cc2cccnc2)c2c(C(=O)NO)cnc3c(Br)cccc23)cc1.
What is the InChIKey of 8-bromo-N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]quinoline-3-carboxamide?
The InChIKey is GKDAXRUOVHMLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN4O5S/c1-33-16-7-9-17(10-8-16)34(31,32)28(14-15-4-3-11-25-12-15)22-18-5-2-6-20(24)21(18)26-13-19(22)23(29)27-30/h2-13,30H,14H2,1H3,(H,27,29).
What are the key properties of 8-bromo-N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]quinoline-3-carboxamide?
8-bromo-N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]quinoline-3-carboxamide has a molecular weight of 543.40 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]quinoline-3-carboxamide is sourced from PubChem (CID 10165868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).