4-(4-bromophenyl)-3-methoxy-1H-quinolin-2-one

C16H12BrNO2 — CID 142438214

IUPAC4-(4-bromophenyl)-3-methoxy-1H-quinolin-2-one
SMILESCOc1c(-c2ccc(Br)cc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C16H12BrNO2/c1-20-15-14(10-6-8-11(17)9-7-10)12-4-2-3-5-13(12)18-16(15)19/h2-9H,1H3,(H,18,19)
InChIKeyMXUWIVKERAFWCJ-UHFFFAOYSA-N
MW330.18 g/mol
LogP3.97
Rot. Bonds2

About 4-(4-bromophenyl)-3-methoxy-1H-quinolin-2-one

4-(4-bromophenyl)-3-methoxy-1H-quinolin-2-one (PubChem CID 142438214) has the molecular formula C16H12BrNO2 and a molecular weight of 330.18 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-methoxy-1H-quinolin-2-one
PubChem CID142438214
Molecular FormulaC16H12BrNO2
Molecular Weight330.18 g/mol
Exact Mass329.01
IUPAC Name4-(4-bromophenyl)-3-methoxy-1H-quinolin-2-one
SMILESCOc1c(-c2ccc(Br)cc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C16H12BrNO2/c1-20-15-14(10-6-8-11(17)9-7-10)12-4-2-3-5-13(12)18-16(15)19/h2-9H,1H3,(H,18,19)
InChIKeyMXUWIVKERAFWCJ-UHFFFAOYSA-N
XLogP3.97
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-methoxy-1H-quinolin-2-one?
The IUPAC name of 4-(4-bromophenyl)-3-methoxy-1H-quinolin-2-one (CID 142438214) is 4-(4-bromophenyl)-3-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 4-(4-bromophenyl)-3-methoxy-1H-quinolin-2-one?
The canonical SMILES for 4-(4-bromophenyl)-3-methoxy-1H-quinolin-2-one is COc1c(-c2ccc(Br)cc2)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-(4-bromophenyl)-3-methoxy-1H-quinolin-2-one?
The InChIKey is MXUWIVKERAFWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO2/c1-20-15-14(10-6-8-11(17)9-7-10)12-4-2-3-5-13(12)18-16(15)19/h2-9H,1H3,(H,18,19).
What are the key properties of 4-(4-bromophenyl)-3-methoxy-1H-quinolin-2-one?
4-(4-bromophenyl)-3-methoxy-1H-quinolin-2-one has a molecular weight of 330.18 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 142438214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).