5-bromo-N-(4-cyanophenyl)-8-hydroxyquinoline-7-carboxamide

C17H10BrN3O2 — CID 130421741

IUPAC5-bromo-N-(4-cyanophenyl)-8-hydroxyquinoline-7-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(Br)c3cccnc3c2O)cc1
InChIInChI=1S/C17H10BrN3O2/c18-14-8-13(16(22)15-12(14)2-1-7-20-15)17(23)21-11-5-3-10(9-19)4-6-11/h1-8,22H,(H,21,23)
InChIKeyYEALRBCAGQBMKA-UHFFFAOYSA-N
MW368.19 g/mol
LogP3.83
Rot. Bonds2

About 5-bromo-N-(4-cyanophenyl)-8-hydroxyquinoline-7-carboxamide

5-bromo-N-(4-cyanophenyl)-8-hydroxyquinoline-7-carboxamide (PubChem CID 130421741) has the molecular formula C17H10BrN3O2 and a molecular weight of 368.19 g/mol. Its IUPAC name is 5-bromo-N-(4-cyanophenyl)-8-hydroxyquinoline-7-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-cyanophenyl)-8-hydroxyquinoline-7-carboxamide
PubChem CID130421741
Molecular FormulaC17H10BrN3O2
Molecular Weight368.19 g/mol
Exact Mass367.00
IUPAC Name5-bromo-N-(4-cyanophenyl)-8-hydroxyquinoline-7-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(Br)c3cccnc3c2O)cc1
InChIInChI=1S/C17H10BrN3O2/c18-14-8-13(16(22)15-12(14)2-1-7-20-15)17(23)21-11-5-3-10(9-19)4-6-11/h1-8,22H,(H,21,23)
InChIKeyYEALRBCAGQBMKA-UHFFFAOYSA-N
XLogP3.83
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-cyanophenyl)-8-hydroxyquinoline-7-carboxamide?
The IUPAC name of 5-bromo-N-(4-cyanophenyl)-8-hydroxyquinoline-7-carboxamide (CID 130421741) is 5-bromo-N-(4-cyanophenyl)-8-hydroxyquinoline-7-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-cyanophenyl)-8-hydroxyquinoline-7-carboxamide?
The canonical SMILES for 5-bromo-N-(4-cyanophenyl)-8-hydroxyquinoline-7-carboxamide is N#Cc1ccc(NC(=O)c2cc(Br)c3cccnc3c2O)cc1.
What is the InChIKey of 5-bromo-N-(4-cyanophenyl)-8-hydroxyquinoline-7-carboxamide?
The InChIKey is YEALRBCAGQBMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrN3O2/c18-14-8-13(16(22)15-12(14)2-1-7-20-15)17(23)21-11-5-3-10(9-19)4-6-11/h1-8,22H,(H,21,23).
What are the key properties of 5-bromo-N-(4-cyanophenyl)-8-hydroxyquinoline-7-carboxamide?
5-bromo-N-(4-cyanophenyl)-8-hydroxyquinoline-7-carboxamide has a molecular weight of 368.19 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-cyanophenyl)-8-hydroxyquinoline-7-carboxamide is sourced from PubChem (CID 130421741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).