6-bromo-2-butyl-1H-quinolin-4-one

C13H14BrNO — CID 155408645

IUPAC6-bromo-2-butyl-1H-quinolin-4-one
SMILESCCCCc1cc(=O)c2cc(Br)ccc2[nH]1
InChIInChI=1S/C13H14BrNO/c1-2-3-4-10-8-13(16)11-7-9(14)5-6-12(11)15-10/h5-8H,2-4H2,1H3,(H,15,16)
InChIKeyZIYGNTWUEFDINT-UHFFFAOYSA-N
MW280.16 g/mol
LogP3.63
Rot. Bonds3

About 6-bromo-2-butyl-1H-quinolin-4-one

6-bromo-2-butyl-1H-quinolin-4-one (PubChem CID 155408645) has the molecular formula C13H14BrNO and a molecular weight of 280.16 g/mol. Its IUPAC name is 6-bromo-2-butyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-bromo-2-butyl-1H-quinolin-4-one
PubChem CID155408645
Molecular FormulaC13H14BrNO
Molecular Weight280.16 g/mol
Exact Mass279.03
IUPAC Name6-bromo-2-butyl-1H-quinolin-4-one
SMILESCCCCc1cc(=O)c2cc(Br)ccc2[nH]1
InChIInChI=1S/C13H14BrNO/c1-2-3-4-10-8-13(16)11-7-9(14)5-6-12(11)15-10/h5-8H,2-4H2,1H3,(H,15,16)
InChIKeyZIYGNTWUEFDINT-UHFFFAOYSA-N
XLogP3.63
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-6-(trifluoromethyl)-1H-quinolin-4-one
CID 162537419
6-bromo-2-(butylamino)-1H-quinolin-4-one
CID 11055513
2-heptyl-1H-quinolin-4-one
CID 172676765
2-heptyl-1H-quinolin-4-one
CID 172676764
2-heptyl-6-(2-sulfanylethyl)-1H-quinolin-4-one
CID 156870341
9-bromo-5,11-dimethyl-2-propyl-1,6-dihydropyrido[3,2-b]carbazol-4-one
CID 10524008
6-butyl-2-(methoxymethyl)-1H-quinolin-4-one
CID 55062157
6-bromo-2-octyl-1H-indole
CID 86224131
2-[(Z)-undec-4-enyl]-1H-quinolin-4-one
CID 139586265
6,8-dibromo-2-propyl-1H-quinolin-4-one
CID 61477841
6-tert-butyl-2-ethyl-1H-quinolin-4-one
CID 43668294
6-bromo-4-oxo-1H-quinoline-2-sulfonamide
CID 175212509

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-butyl-1H-quinolin-4-one?
The IUPAC name of 6-bromo-2-butyl-1H-quinolin-4-one (CID 155408645) is 6-bromo-2-butyl-1H-quinolin-4-one.
What is the SMILES notation for 6-bromo-2-butyl-1H-quinolin-4-one?
The canonical SMILES for 6-bromo-2-butyl-1H-quinolin-4-one is CCCCc1cc(=O)c2cc(Br)ccc2[nH]1.
What is the InChIKey of 6-bromo-2-butyl-1H-quinolin-4-one?
The InChIKey is ZIYGNTWUEFDINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-2-3-4-10-8-13(16)11-7-9(14)5-6-12(11)15-10/h5-8H,2-4H2,1H3,(H,15,16).
What are the key properties of 6-bromo-2-butyl-1H-quinolin-4-one?
6-bromo-2-butyl-1H-quinolin-4-one has a molecular weight of 280.16 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-butyl-1H-quinolin-4-one is sourced from PubChem (CID 155408645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).