(4-bromophenyl)-(3-bromoquinolin-4-yl)methanone

C16H9Br2NO — CID 135027336

IUPAC(4-bromophenyl)-(3-bromoquinolin-4-yl)methanone
SMILESO=C(c1ccc(Br)cc1)c1c(Br)cnc2ccccc12
InChIInChI=1S/C16H9Br2NO/c17-11-7-5-10(6-8-11)16(20)15-12-3-1-2-4-14(12)19-9-13(15)18/h1-9H
InChIKeyMYKYOMQSQDZDIC-UHFFFAOYSA-N
MW391.06 g/mol
LogP4.99
Rot. Bonds2

About (4-bromophenyl)-(3-bromoquinolin-4-yl)methanone

(4-bromophenyl)-(3-bromoquinolin-4-yl)methanone (PubChem CID 135027336) has the molecular formula C16H9Br2NO and a molecular weight of 391.06 g/mol. Its IUPAC name is (4-bromophenyl)-(3-bromoquinolin-4-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(3-bromoquinolin-4-yl)methanone
PubChem CID135027336
Molecular FormulaC16H9Br2NO
Molecular Weight391.06 g/mol
Exact Mass388.91
IUPAC Name(4-bromophenyl)-(3-bromoquinolin-4-yl)methanone
SMILESO=C(c1ccc(Br)cc1)c1c(Br)cnc2ccccc12
InChIInChI=1S/C16H9Br2NO/c17-11-7-5-10(6-8-11)16(20)15-12-3-1-2-4-14(12)19-9-13(15)18/h1-9H
InChIKeyMYKYOMQSQDZDIC-UHFFFAOYSA-N
XLogP4.99
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.06
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(3-bromoquinolin-4-yl)methanone?
The IUPAC name of (4-bromophenyl)-(3-bromoquinolin-4-yl)methanone (CID 135027336) is (4-bromophenyl)-(3-bromoquinolin-4-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(3-bromoquinolin-4-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(3-bromoquinolin-4-yl)methanone is O=C(c1ccc(Br)cc1)c1c(Br)cnc2ccccc12.
What is the InChIKey of (4-bromophenyl)-(3-bromoquinolin-4-yl)methanone?
The InChIKey is MYKYOMQSQDZDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Br2NO/c17-11-7-5-10(6-8-11)16(20)15-12-3-1-2-4-14(12)19-9-13(15)18/h1-9H.
What are the key properties of (4-bromophenyl)-(3-bromoquinolin-4-yl)methanone?
(4-bromophenyl)-(3-bromoquinolin-4-yl)methanone has a molecular weight of 391.06 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(3-bromoquinolin-4-yl)methanone is sourced from PubChem (CID 135027336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).