6-(4-bromobut-1-enyl)-2-methyl-1H-quinolin-4-one

C14H14BrNO — CID 170498238

IUPAC6-(4-bromobut-1-enyl)-2-methyl-1H-quinolin-4-one
SMILESCc1cc(=O)c2cc(C=CCCBr)ccc2[nH]1
InChIInChI=1S/C14H14BrNO/c1-10-8-14(17)12-9-11(4-2-3-7-15)5-6-13(12)16-10/h2,4-6,8-9H,3,7H2,1H3,(H,16,17)
InChIKeyKYTJTCNHKSYHJH-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.63
Rot. Bonds3

About 6-(4-bromobut-1-enyl)-2-methyl-1H-quinolin-4-one

6-(4-bromobut-1-enyl)-2-methyl-1H-quinolin-4-one (PubChem CID 170498238) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 6-(4-bromobut-1-enyl)-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-(4-bromobut-1-enyl)-2-methyl-1H-quinolin-4-one
PubChem CID170498238
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name6-(4-bromobut-1-enyl)-2-methyl-1H-quinolin-4-one
SMILESCc1cc(=O)c2cc(C=CCCBr)ccc2[nH]1
InChIInChI=1S/C14H14BrNO/c1-10-8-14(17)12-9-11(4-2-3-7-15)5-6-13(12)16-10/h2,4-6,8-9H,3,7H2,1H3,(H,16,17)
InChIKeyKYTJTCNHKSYHJH-UHFFFAOYSA-N
XLogP3.63
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxyquinoline
CID 69141
Acridone
CID 2015
2-Heptyl-4-hydroxyquinoline
CID 164974
2-Methylquinolin-4-ol
CID 69089
2,8-Bis(trifluoromethyl)quinolin-4-ol
CID 736140
2-Phenyl-4-oxohydroquinoline
CID 161091
Aurachin D
CID 6124753
2-Undecyl-4(1H)-quinolone
CID 10063343
2-Methyl-acridone
CID 419818
2,6-Bis(trifluoromethyl)quinolin-4(1H)-one
CID 2736155
8-Methyl-2-(trifluoromethyl)-4-quinolinol
CID 2775089
1,2,3,4-Tetrahydroacridone
CID 95996

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromobut-1-enyl)-2-methyl-1H-quinolin-4-one?
The IUPAC name of 6-(4-bromobut-1-enyl)-2-methyl-1H-quinolin-4-one (CID 170498238) is 6-(4-bromobut-1-enyl)-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 6-(4-bromobut-1-enyl)-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 6-(4-bromobut-1-enyl)-2-methyl-1H-quinolin-4-one is Cc1cc(=O)c2cc(C=CCCBr)ccc2[nH]1.
What is the InChIKey of 6-(4-bromobut-1-enyl)-2-methyl-1H-quinolin-4-one?
The InChIKey is KYTJTCNHKSYHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-10-8-14(17)12-9-11(4-2-3-7-15)5-6-13(12)16-10/h2,4-6,8-9H,3,7H2,1H3,(H,16,17).
What are the key properties of 6-(4-bromobut-1-enyl)-2-methyl-1H-quinolin-4-one?
6-(4-bromobut-1-enyl)-2-methyl-1H-quinolin-4-one has a molecular weight of 292.18 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-(4-bromobut-1-enyl)-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 170498238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).