(2-bromo-6-fluorophenyl)-(2-methylquinolin-6-yl)methanone

C17H11BrFNO — CID 114885310

IUPAC(2-bromo-6-fluorophenyl)-(2-methylquinolin-6-yl)methanone
SMILESCc1ccc2cc(C(=O)c3c(F)cccc3Br)ccc2n1
InChIInChI=1S/C17H11BrFNO/c1-10-5-6-11-9-12(7-8-15(11)20-10)17(21)16-13(18)3-2-4-14(16)19/h2-9H,1H3
InChIKeyFQLDMSXMRDUEFH-UHFFFAOYSA-N
MW344.18 g/mol
LogP4.68
Rot. Bonds2

About (2-bromo-6-fluorophenyl)-(2-methylquinolin-6-yl)methanone

(2-bromo-6-fluorophenyl)-(2-methylquinolin-6-yl)methanone (PubChem CID 114885310) has the molecular formula C17H11BrFNO and a molecular weight of 344.18 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(2-methylquinolin-6-yl)methanone.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(2-methylquinolin-6-yl)methanone
PubChem CID114885310
Molecular FormulaC17H11BrFNO
Molecular Weight344.18 g/mol
Exact Mass343.00
IUPAC Name(2-bromo-6-fluorophenyl)-(2-methylquinolin-6-yl)methanone
SMILESCc1ccc2cc(C(=O)c3c(F)cccc3Br)ccc2n1
InChIInChI=1S/C17H11BrFNO/c1-10-5-6-11-9-12(7-8-15(11)20-10)17(21)16-13(18)3-2-4-14(16)19/h2-9H,1H3
InChIKeyFQLDMSXMRDUEFH-UHFFFAOYSA-N
XLogP4.68
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylphenyl)-(2-methylquinolin-6-yl)methanone
CID 81216684
(2-amino-5-bromophenyl)-(2-methylquinolin-6-yl)methanone
CID 82697228
(2-bromo-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 114558708
(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methanone
CID 114558647
(4-iodophenyl)-(2-methylquinolin-6-yl)methanone
CID 115790394
(3-chloro-4-methylphenyl)-(2-methylquinolin-6-yl)methanone
CID 115790445
(2-methylquinolin-6-yl)-pyridazin-4-ylmethanone
CID 105121470
(3-methyl-2-pyridinyl)-(2-methylquinolin-6-yl)methanone
CID 81220178
(2-methylquinolin-6-yl)-thiophen-3-ylmethanone
CID 81216754
(3-chloro-5-methylphenyl)-(2-methylquinolin-6-yl)methanone
CID 115790335
(2-bromo-6-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 114885417
2-hydroxy-2-methyl-1-(2-methylquinolin-6-yl)propan-1-one
CID 103446086

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(2-methylquinolin-6-yl)methanone?
The IUPAC name of (2-bromo-6-fluorophenyl)-(2-methylquinolin-6-yl)methanone (CID 114885310) is (2-bromo-6-fluorophenyl)-(2-methylquinolin-6-yl)methanone.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(2-methylquinolin-6-yl)methanone?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(2-methylquinolin-6-yl)methanone is Cc1ccc2cc(C(=O)c3c(F)cccc3Br)ccc2n1.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(2-methylquinolin-6-yl)methanone?
The InChIKey is FQLDMSXMRDUEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFNO/c1-10-5-6-11-9-12(7-8-15(11)20-10)17(21)16-13(18)3-2-4-14(16)19/h2-9H,1H3.
What are the key properties of (2-bromo-6-fluorophenyl)-(2-methylquinolin-6-yl)methanone?
(2-bromo-6-fluorophenyl)-(2-methylquinolin-6-yl)methanone has a molecular weight of 344.18 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-(2-methylquinolin-6-yl)methanone is sourced from PubChem (CID 114885310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).