8-bromo-2-tert-butyl-6-methyl-1H-quinolin-4-one

C14H16BrNO — CID 43668152

IUPAC8-bromo-2-tert-butyl-6-methyl-1H-quinolin-4-one
SMILESCc1cc(Br)c2[nH]c(C(C)(C)C)cc(=O)c2c1
InChIInChI=1S/C14H16BrNO/c1-8-5-9-11(17)7-12(14(2,3)4)16-13(9)10(15)6-8/h5-7H,1-4H3,(H,16,17)
InChIKeyYROOPNAAQNUUFJ-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.90
Rot. Bonds

About 8-bromo-2-tert-butyl-6-methyl-1H-quinolin-4-one

8-bromo-2-tert-butyl-6-methyl-1H-quinolin-4-one (PubChem CID 43668152) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 8-bromo-2-tert-butyl-6-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name8-bromo-2-tert-butyl-6-methyl-1H-quinolin-4-one
PubChem CID43668152
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name8-bromo-2-tert-butyl-6-methyl-1H-quinolin-4-one
SMILESCc1cc(Br)c2[nH]c(C(C)(C)C)cc(=O)c2c1
InChIInChI=1S/C14H16BrNO/c1-8-5-9-11(17)7-12(14(2,3)4)16-13(9)10(15)6-8/h5-7H,1-4H3,(H,16,17)
InChIKeyYROOPNAAQNUUFJ-UHFFFAOYSA-N
XLogP3.90
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-bromo-2,6-dimethyl-1H-quinazoline-4-thione
CID 106505564
8-methoxy-2,6-dimethyl-1H-quinolin-4-one
CID 54773037
6-bromo-1-chloro-8-methyl-3,5-dihydropyridazino[4,5-b]indol-4-one
CID 165344986
2-tert-butyl-8-methoxy-1H-quinolin-4-one
CID 10799531
8-bromo-3-ethyl-6-methyl-1H-quinazoline-2,4-dione
CID 114588912
1-bromo-3,6-dimethyl-9H-carbazole
CID 155672564
1,6-dibromo-3-methyl-9H-carbazole
CID 171793156
2-tert-butyl-1H-1,8-naphthyridin-4-one
CID 84670757
6,8-dibromo-2-propyl-1H-quinolin-4-one
CID 61477841
8-bromo-6-tert-butyl-1H-quinolin-2-one
CID 59476191
8-bromo-3,6-dimethyl-1H-quinoxalin-2-one
CID 90421767
6-methyl-2-(trichloromethyl)-1H-quinolin-4-one
CID 121220814

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-tert-butyl-6-methyl-1H-quinolin-4-one?
The IUPAC name of 8-bromo-2-tert-butyl-6-methyl-1H-quinolin-4-one (CID 43668152) is 8-bromo-2-tert-butyl-6-methyl-1H-quinolin-4-one.
What is the SMILES notation for 8-bromo-2-tert-butyl-6-methyl-1H-quinolin-4-one?
The canonical SMILES for 8-bromo-2-tert-butyl-6-methyl-1H-quinolin-4-one is Cc1cc(Br)c2[nH]c(C(C)(C)C)cc(=O)c2c1.
What is the InChIKey of 8-bromo-2-tert-butyl-6-methyl-1H-quinolin-4-one?
The InChIKey is YROOPNAAQNUUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-8-5-9-11(17)7-12(14(2,3)4)16-13(9)10(15)6-8/h5-7H,1-4H3,(H,16,17).
What are the key properties of 8-bromo-2-tert-butyl-6-methyl-1H-quinolin-4-one?
8-bromo-2-tert-butyl-6-methyl-1H-quinolin-4-one has a molecular weight of 294.19 g/mol, XLogP of 3.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-tert-butyl-6-methyl-1H-quinolin-4-one is sourced from PubChem (CID 43668152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).