2-benzyl-6-bromo-3H-quinolin-4-one

C16H12BrNO — CID 69363755

IUPAC2-benzyl-6-bromo-3H-quinolin-4-one
SMILESO=C1CC(Cc2ccccc2)=Nc2ccc(Br)cc21
InChIInChI=1S/C16H12BrNO/c17-12-6-7-15-14(9-12)16(19)10-13(18-15)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2
InChIKeySUVPINBAFIBQLB-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.35
Rot. Bonds2

About 2-benzyl-6-bromo-3H-quinolin-4-one

2-benzyl-6-bromo-3H-quinolin-4-one (PubChem CID 69363755) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is 2-benzyl-6-bromo-3H-quinolin-4-one.

Molecular Properties

Compound Name2-benzyl-6-bromo-3H-quinolin-4-one
PubChem CID69363755
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name2-benzyl-6-bromo-3H-quinolin-4-one
SMILESO=C1CC(Cc2ccccc2)=Nc2ccc(Br)cc21
InChIInChI=1S/C16H12BrNO/c17-12-6-7-15-14(9-12)16(19)10-13(18-15)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2
InChIKeySUVPINBAFIBQLB-UHFFFAOYSA-N
XLogP4.35
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-bromo-3H-quinolin-4-one?
The IUPAC name of 2-benzyl-6-bromo-3H-quinolin-4-one (CID 69363755) is 2-benzyl-6-bromo-3H-quinolin-4-one.
What is the SMILES notation for 2-benzyl-6-bromo-3H-quinolin-4-one?
The canonical SMILES for 2-benzyl-6-bromo-3H-quinolin-4-one is O=C1CC(Cc2ccccc2)=Nc2ccc(Br)cc21.
What is the InChIKey of 2-benzyl-6-bromo-3H-quinolin-4-one?
The InChIKey is SUVPINBAFIBQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c17-12-6-7-15-14(9-12)16(19)10-13(18-15)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2.
What are the key properties of 2-benzyl-6-bromo-3H-quinolin-4-one?
2-benzyl-6-bromo-3H-quinolin-4-one has a molecular weight of 314.18 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-bromo-3H-quinolin-4-one is sourced from PubChem (CID 69363755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).