(3-bromo-5-methylphenyl)-quinolin-3-ylmethanone

C17H12BrNO — CID 114963114

IUPAC(3-bromo-5-methylphenyl)-quinolin-3-ylmethanone
SMILESCc1cc(Br)cc(C(=O)c2cnc3ccccc3c2)c1
InChIInChI=1S/C17H12BrNO/c1-11-6-13(9-15(18)7-11)17(20)14-8-12-4-2-3-5-16(12)19-10-14/h2-10H,1H3
InChIKeyWSUUQEFQWMPESN-UHFFFAOYSA-N
MW326.19 g/mol
LogP4.54
Rot. Bonds2

About (3-bromo-5-methylphenyl)-quinolin-3-ylmethanone

(3-bromo-5-methylphenyl)-quinolin-3-ylmethanone (PubChem CID 114963114) has the molecular formula C17H12BrNO and a molecular weight of 326.19 g/mol. Its IUPAC name is (3-bromo-5-methylphenyl)-quinolin-3-ylmethanone.

Molecular Properties

Compound Name(3-bromo-5-methylphenyl)-quinolin-3-ylmethanone
PubChem CID114963114
Molecular FormulaC17H12BrNO
Molecular Weight326.19 g/mol
Exact Mass325.01
IUPAC Name(3-bromo-5-methylphenyl)-quinolin-3-ylmethanone
SMILESCc1cc(Br)cc(C(=O)c2cnc3ccccc3c2)c1
InChIInChI=1S/C17H12BrNO/c1-11-6-13(9-15(18)7-11)17(20)14-8-12-4-2-3-5-16(12)19-10-14/h2-10H,1H3
InChIKeyWSUUQEFQWMPESN-UHFFFAOYSA-N
XLogP4.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylphenyl)-quinolin-3-ylmethanone?
The IUPAC name of (3-bromo-5-methylphenyl)-quinolin-3-ylmethanone (CID 114963114) is (3-bromo-5-methylphenyl)-quinolin-3-ylmethanone.
What is the SMILES notation for (3-bromo-5-methylphenyl)-quinolin-3-ylmethanone?
The canonical SMILES for (3-bromo-5-methylphenyl)-quinolin-3-ylmethanone is Cc1cc(Br)cc(C(=O)c2cnc3ccccc3c2)c1.
What is the InChIKey of (3-bromo-5-methylphenyl)-quinolin-3-ylmethanone?
The InChIKey is WSUUQEFQWMPESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO/c1-11-6-13(9-15(18)7-11)17(20)14-8-12-4-2-3-5-16(12)19-10-14/h2-10H,1H3.
What are the key properties of (3-bromo-5-methylphenyl)-quinolin-3-ylmethanone?
(3-bromo-5-methylphenyl)-quinolin-3-ylmethanone has a molecular weight of 326.19 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylphenyl)-quinolin-3-ylmethanone is sourced from PubChem (CID 114963114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).