4-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-nitro-1H-quinolin-2-one

C15H9BrN2O5 — CID 54034148

IUPAC4-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-nitro-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc([N+](=O)[O-])cc2c(-c2cc(Br)ccc2O)c1O
InChIInChI=1S/C15H9BrN2O5/c16-7-1-4-12(19)10(5-7)13-9-6-8(18(22)23)2-3-11(9)17-15(21)14(13)20/h1-6,19-20H,(H,17,21)
InChIKeyLHSGZVJARDFHQD-UHFFFAOYSA-N
MW377.15 g/mol
LogP3.28
Rot. Bonds2

About 4-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-nitro-1H-quinolin-2-one

4-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-nitro-1H-quinolin-2-one (PubChem CID 54034148) has the molecular formula C15H9BrN2O5 and a molecular weight of 377.15 g/mol. Its IUPAC name is 4-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-nitro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-nitro-1H-quinolin-2-one
PubChem CID54034148
Molecular FormulaC15H9BrN2O5
Molecular Weight377.15 g/mol
Exact Mass375.97
IUPAC Name4-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-nitro-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc([N+](=O)[O-])cc2c(-c2cc(Br)ccc2O)c1O
InChIInChI=1S/C15H9BrN2O5/c16-7-1-4-12(19)10(5-7)13-9-6-8(18(22)23)2-3-11(9)17-15(21)14(13)20/h1-6,19-20H,(H,17,21)
InChIKeyLHSGZVJARDFHQD-UHFFFAOYSA-N
XLogP3.28
TPSA116.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.15
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 4-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-nitro-1H-quinolin-2-one?
The IUPAC name of 4-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-nitro-1H-quinolin-2-one (CID 54034148) is 4-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-nitro-1H-quinolin-2-one.
What is the SMILES notation for 4-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-nitro-1H-quinolin-2-one?
The canonical SMILES for 4-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-nitro-1H-quinolin-2-one is O=c1[nH]c2ccc([N+](=O)[O-])cc2c(-c2cc(Br)ccc2O)c1O.
What is the InChIKey of 4-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-nitro-1H-quinolin-2-one?
The InChIKey is LHSGZVJARDFHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2O5/c16-7-1-4-12(19)10(5-7)13-9-6-8(18(22)23)2-3-11(9)17-15(21)14(13)20/h1-6,19-20H,(H,17,21).
What are the key properties of 4-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-nitro-1H-quinolin-2-one?
4-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-nitro-1H-quinolin-2-one has a molecular weight of 377.15 g/mol, XLogP of 3.28, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-nitro-1H-quinolin-2-one is sourced from PubChem (CID 54034148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).