(4-bromo-2-chlorophenyl)-quinolin-3-ylmethanone

C16H9BrClNO — CID 114963086

IUPAC(4-bromo-2-chlorophenyl)-quinolin-3-ylmethanone
SMILESO=C(c1cnc2ccccc2c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H9BrClNO/c17-12-5-6-13(14(18)8-12)16(20)11-7-10-3-1-2-4-15(10)19-9-11/h1-9H
InChIKeyDQOJALITAXJEGX-UHFFFAOYSA-N
MW346.61 g/mol
LogP4.88
Rot. Bonds2

About (4-bromo-2-chlorophenyl)-quinolin-3-ylmethanone

(4-bromo-2-chlorophenyl)-quinolin-3-ylmethanone (PubChem CID 114963086) has the molecular formula C16H9BrClNO and a molecular weight of 346.61 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-quinolin-3-ylmethanone.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-quinolin-3-ylmethanone
PubChem CID114963086
Molecular FormulaC16H9BrClNO
Molecular Weight346.61 g/mol
Exact Mass344.96
IUPAC Name(4-bromo-2-chlorophenyl)-quinolin-3-ylmethanone
SMILESO=C(c1cnc2ccccc2c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H9BrClNO/c17-12-5-6-13(14(18)8-12)16(20)11-7-10-3-1-2-4-15(10)19-9-11/h1-9H
InChIKeyDQOJALITAXJEGX-UHFFFAOYSA-N
XLogP4.88
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.61
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-quinolin-3-ylmethanone?
The IUPAC name of (4-bromo-2-chlorophenyl)-quinolin-3-ylmethanone (CID 114963086) is (4-bromo-2-chlorophenyl)-quinolin-3-ylmethanone.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-quinolin-3-ylmethanone?
The canonical SMILES for (4-bromo-2-chlorophenyl)-quinolin-3-ylmethanone is O=C(c1cnc2ccccc2c1)c1ccc(Br)cc1Cl.
What is the InChIKey of (4-bromo-2-chlorophenyl)-quinolin-3-ylmethanone?
The InChIKey is DQOJALITAXJEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrClNO/c17-12-5-6-13(14(18)8-12)16(20)11-7-10-3-1-2-4-15(10)19-9-11/h1-9H.
What are the key properties of (4-bromo-2-chlorophenyl)-quinolin-3-ylmethanone?
(4-bromo-2-chlorophenyl)-quinolin-3-ylmethanone has a molecular weight of 346.61 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-quinolin-3-ylmethanone is sourced from PubChem (CID 114963086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).