6-bromo-2-methyl-3-phenylquinoline

C16H12BrN — CID 127048526

IUPAC6-bromo-2-methyl-3-phenylquinoline
SMILESCc1nc2ccc(Br)cc2cc1-c1ccccc1
InChIInChI=1S/C16H12BrN/c1-11-15(12-5-3-2-4-6-12)10-13-9-14(17)7-8-16(13)18-11/h2-10H,1H3
InChIKeyDVUZDPMZTWTWDH-UHFFFAOYSA-N
MW298.18 g/mol
LogP4.97
Rot. Bonds1

About 6-bromo-2-methyl-3-phenylquinoline

6-bromo-2-methyl-3-phenylquinoline (PubChem CID 127048526) has the molecular formula C16H12BrN and a molecular weight of 298.18 g/mol. Its IUPAC name is 6-bromo-2-methyl-3-phenylquinoline.

Molecular Properties

Compound Name6-bromo-2-methyl-3-phenylquinoline
PubChem CID127048526
Molecular FormulaC16H12BrN
Molecular Weight298.18 g/mol
Exact Mass297.02
IUPAC Name6-bromo-2-methyl-3-phenylquinoline
SMILESCc1nc2ccc(Br)cc2cc1-c1ccccc1
InChIInChI=1S/C16H12BrN/c1-11-15(12-5-3-2-4-6-12)10-13-9-14(17)7-8-16(13)18-11/h2-10H,1H3
InChIKeyDVUZDPMZTWTWDH-UHFFFAOYSA-N
XLogP4.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-3-phenylquinoline?
The IUPAC name of 6-bromo-2-methyl-3-phenylquinoline (CID 127048526) is 6-bromo-2-methyl-3-phenylquinoline.
What is the SMILES notation for 6-bromo-2-methyl-3-phenylquinoline?
The canonical SMILES for 6-bromo-2-methyl-3-phenylquinoline is Cc1nc2ccc(Br)cc2cc1-c1ccccc1.
What is the InChIKey of 6-bromo-2-methyl-3-phenylquinoline?
The InChIKey is DVUZDPMZTWTWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN/c1-11-15(12-5-3-2-4-6-12)10-13-9-14(17)7-8-16(13)18-11/h2-10H,1H3.
What are the key properties of 6-bromo-2-methyl-3-phenylquinoline?
6-bromo-2-methyl-3-phenylquinoline has a molecular weight of 298.18 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-3-phenylquinoline is sourced from PubChem (CID 127048526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).