3-benzyl-6-bromo-4-methyl-2-methylidene-1H-quinoline

C18H16BrN — CID 129131712

IUPAC3-benzyl-6-bromo-4-methyl-2-methylidene-1H-quinoline
SMILESC=C1Nc2ccc(Br)cc2C(C)=C1Cc1ccccc1
InChIInChI=1S/C18H16BrN/c1-12-16(10-14-6-4-3-5-7-14)13(2)20-18-9-8-15(19)11-17(12)18/h3-9,11,20H,2,10H2,1H3
InChIKeyFMKVIMKCHNDVCL-UHFFFAOYSA-N
MW326.24 g/mol
LogP5.40
Rot. Bonds2

About 3-benzyl-6-bromo-4-methyl-2-methylidene-1H-quinoline

3-benzyl-6-bromo-4-methyl-2-methylidene-1H-quinoline (PubChem CID 129131712) has the molecular formula C18H16BrN and a molecular weight of 326.24 g/mol. Its IUPAC name is 3-benzyl-6-bromo-4-methyl-2-methylidene-1H-quinoline.

Molecular Properties

Compound Name3-benzyl-6-bromo-4-methyl-2-methylidene-1H-quinoline
PubChem CID129131712
Molecular FormulaC18H16BrN
Molecular Weight326.24 g/mol
Exact Mass325.05
IUPAC Name3-benzyl-6-bromo-4-methyl-2-methylidene-1H-quinoline
SMILESC=C1Nc2ccc(Br)cc2C(C)=C1Cc1ccccc1
InChIInChI=1S/C18H16BrN/c1-12-16(10-14-6-4-3-5-7-14)13(2)20-18-9-8-15(19)11-17(12)18/h3-9,11,20H,2,10H2,1H3
InChIKeyFMKVIMKCHNDVCL-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.24
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-bromo-4-methyl-2-methylidene-1H-quinoline?
The IUPAC name of 3-benzyl-6-bromo-4-methyl-2-methylidene-1H-quinoline (CID 129131712) is 3-benzyl-6-bromo-4-methyl-2-methylidene-1H-quinoline.
What is the SMILES notation for 3-benzyl-6-bromo-4-methyl-2-methylidene-1H-quinoline?
The canonical SMILES for 3-benzyl-6-bromo-4-methyl-2-methylidene-1H-quinoline is C=C1Nc2ccc(Br)cc2C(C)=C1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-bromo-4-methyl-2-methylidene-1H-quinoline?
The InChIKey is FMKVIMKCHNDVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN/c1-12-16(10-14-6-4-3-5-7-14)13(2)20-18-9-8-15(19)11-17(12)18/h3-9,11,20H,2,10H2,1H3.
What are the key properties of 3-benzyl-6-bromo-4-methyl-2-methylidene-1H-quinoline?
3-benzyl-6-bromo-4-methyl-2-methylidene-1H-quinoline has a molecular weight of 326.24 g/mol, XLogP of 5.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-bromo-4-methyl-2-methylidene-1H-quinoline is sourced from PubChem (CID 129131712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).