(2-bromo-6-chloroquinolin-3-yl)-phenylmethanone

C16H9BrClNO — CID 132557289

IUPAC(2-bromo-6-chloroquinolin-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc2cc(Cl)ccc2nc1Br
InChIInChI=1S/C16H9BrClNO/c17-16-13(15(20)10-4-2-1-3-5-10)9-11-8-12(18)6-7-14(11)19-16/h1-9H
InChIKeyWPOJJDVDDNZEKZ-UHFFFAOYSA-N
MW346.61 g/mol
LogP4.88
Rot. Bonds2

About (2-bromo-6-chloroquinolin-3-yl)-phenylmethanone

(2-bromo-6-chloroquinolin-3-yl)-phenylmethanone (PubChem CID 132557289) has the molecular formula C16H9BrClNO and a molecular weight of 346.61 g/mol. Its IUPAC name is (2-bromo-6-chloroquinolin-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-bromo-6-chloroquinolin-3-yl)-phenylmethanone
PubChem CID132557289
Molecular FormulaC16H9BrClNO
Molecular Weight346.61 g/mol
Exact Mass344.96
IUPAC Name(2-bromo-6-chloroquinolin-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc2cc(Cl)ccc2nc1Br
InChIInChI=1S/C16H9BrClNO/c17-16-13(15(20)10-4-2-1-3-5-10)9-11-8-12(18)6-7-14(11)19-16/h1-9H
InChIKeyWPOJJDVDDNZEKZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-chloroquinolin-3-yl)-phenylmethanone?
The IUPAC name of (2-bromo-6-chloroquinolin-3-yl)-phenylmethanone (CID 132557289) is (2-bromo-6-chloroquinolin-3-yl)-phenylmethanone.
What is the SMILES notation for (2-bromo-6-chloroquinolin-3-yl)-phenylmethanone?
The canonical SMILES for (2-bromo-6-chloroquinolin-3-yl)-phenylmethanone is O=C(c1ccccc1)c1cc2cc(Cl)ccc2nc1Br.
What is the InChIKey of (2-bromo-6-chloroquinolin-3-yl)-phenylmethanone?
The InChIKey is WPOJJDVDDNZEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrClNO/c17-16-13(15(20)10-4-2-1-3-5-10)9-11-8-12(18)6-7-14(11)19-16/h1-9H.
What are the key properties of (2-bromo-6-chloroquinolin-3-yl)-phenylmethanone?
(2-bromo-6-chloroquinolin-3-yl)-phenylmethanone 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 (2-bromo-6-chloroquinolin-3-yl)-phenylmethanone is sourced from PubChem (CID 132557289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).