1-benzyl-6-bromo-3-(trifluoromethyl)quinolin-2-one

C17H11BrF3NO — CID 170748295

IUPAC1-benzyl-6-bromo-3-(trifluoromethyl)quinolin-2-one
SMILESO=c1c(C(F)(F)F)cc2cc(Br)ccc2n1Cc1ccccc1
InChIInChI=1S/C17H11BrF3NO/c18-13-6-7-15-12(8-13)9-14(17(19,20)21)16(23)22(15)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyRLVRHMUJWLGTDC-UHFFFAOYSA-N
MW382.18 g/mol
LogP4.83
Rot. Bonds2

About 1-benzyl-6-bromo-3-(trifluoromethyl)quinolin-2-one

1-benzyl-6-bromo-3-(trifluoromethyl)quinolin-2-one (PubChem CID 170748295) has the molecular formula C17H11BrF3NO and a molecular weight of 382.18 g/mol. Its IUPAC name is 1-benzyl-6-bromo-3-(trifluoromethyl)quinolin-2-one.

Molecular Properties

Compound Name1-benzyl-6-bromo-3-(trifluoromethyl)quinolin-2-one
PubChem CID170748295
Molecular FormulaC17H11BrF3NO
Molecular Weight382.18 g/mol
Exact Mass381.00
IUPAC Name1-benzyl-6-bromo-3-(trifluoromethyl)quinolin-2-one
SMILESO=c1c(C(F)(F)F)cc2cc(Br)ccc2n1Cc1ccccc1
InChIInChI=1S/C17H11BrF3NO/c18-13-6-7-15-12(8-13)9-14(17(19,20)21)16(23)22(15)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyRLVRHMUJWLGTDC-UHFFFAOYSA-N
XLogP4.83
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.18
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-bromo-3-(trifluoromethyl)quinolin-2-one?
The IUPAC name of 1-benzyl-6-bromo-3-(trifluoromethyl)quinolin-2-one (CID 170748295) is 1-benzyl-6-bromo-3-(trifluoromethyl)quinolin-2-one.
What is the SMILES notation for 1-benzyl-6-bromo-3-(trifluoromethyl)quinolin-2-one?
The canonical SMILES for 1-benzyl-6-bromo-3-(trifluoromethyl)quinolin-2-one is O=c1c(C(F)(F)F)cc2cc(Br)ccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-bromo-3-(trifluoromethyl)quinolin-2-one?
The InChIKey is RLVRHMUJWLGTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrF3NO/c18-13-6-7-15-12(8-13)9-14(17(19,20)21)16(23)22(15)10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 1-benzyl-6-bromo-3-(trifluoromethyl)quinolin-2-one?
1-benzyl-6-bromo-3-(trifluoromethyl)quinolin-2-one has a molecular weight of 382.18 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-bromo-3-(trifluoromethyl)quinolin-2-one is sourced from PubChem (CID 170748295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).