6-bromo-2-(butylamino)-1H-quinolin-4-one

C13H15BrN2O — CID 11055513

IUPAC6-bromo-2-(butylamino)-1H-quinolin-4-one
SMILESCCCCNc1cc(=O)c2cc(Br)ccc2[nH]1
InChIInChI=1S/C13H15BrN2O/c1-2-3-6-15-13-8-12(17)10-7-9(14)4-5-11(10)16-13/h4-5,7-8H,2-3,6H2,1H3,(H2,15,16,17)
InChIKeyFMUKRPCOCBAIQH-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.50
Rot. Bonds4

About 6-bromo-2-(butylamino)-1H-quinolin-4-one

6-bromo-2-(butylamino)-1H-quinolin-4-one (PubChem CID 11055513) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 6-bromo-2-(butylamino)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-bromo-2-(butylamino)-1H-quinolin-4-one
PubChem CID11055513
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name6-bromo-2-(butylamino)-1H-quinolin-4-one
SMILESCCCCNc1cc(=O)c2cc(Br)ccc2[nH]1
InChIInChI=1S/C13H15BrN2O/c1-2-3-6-15-13-8-12(17)10-7-9(14)4-5-11(10)16-13/h4-5,7-8H,2-3,6H2,1H3,(H2,15,16,17)
InChIKeyFMUKRPCOCBAIQH-UHFFFAOYSA-N
XLogP3.50
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(butylamino)-1H-quinolin-4-one?
The IUPAC name of 6-bromo-2-(butylamino)-1H-quinolin-4-one (CID 11055513) is 6-bromo-2-(butylamino)-1H-quinolin-4-one.
What is the SMILES notation for 6-bromo-2-(butylamino)-1H-quinolin-4-one?
The canonical SMILES for 6-bromo-2-(butylamino)-1H-quinolin-4-one is CCCCNc1cc(=O)c2cc(Br)ccc2[nH]1.
What is the InChIKey of 6-bromo-2-(butylamino)-1H-quinolin-4-one?
The InChIKey is FMUKRPCOCBAIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-2-3-6-15-13-8-12(17)10-7-9(14)4-5-11(10)16-13/h4-5,7-8H,2-3,6H2,1H3,(H2,15,16,17).
What are the key properties of 6-bromo-2-(butylamino)-1H-quinolin-4-one?
6-bromo-2-(butylamino)-1H-quinolin-4-one has a molecular weight of 295.18 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(butylamino)-1H-quinolin-4-one is sourced from PubChem (CID 11055513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).