2-(4-bromophenyl)-2,3-dihydro-1H-quinolin-4-one

C15H12BrNO — CID 10335056

IUPAC2-(4-bromophenyl)-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1CC(c2ccc(Br)cc2)Nc2ccccc21
InChIInChI=1S/C15H12BrNO/c16-11-7-5-10(6-8-11)14-9-15(18)12-3-1-2-4-13(12)17-14/h1-8,14,17H,9H2
InChIKeyMVBJVBQIUSGFKC-UHFFFAOYSA-N
MW302.17 g/mol
LogP4.19
Rot. Bonds1

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

2-(4-bromophenyl)-2,3-dihydro-1H-quinolin-4-one (PubChem CID 10335056) has the molecular formula C15H12BrNO and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-2,3-dihydro-1H-quinolin-4-one
PubChem CID10335056
Molecular FormulaC15H12BrNO
Molecular Weight302.17 g/mol
Exact Mass301.01
IUPAC Name2-(4-bromophenyl)-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1CC(c2ccc(Br)cc2)Nc2ccccc21
InChIInChI=1S/C15H12BrNO/c16-11-7-5-10(6-8-11)14-9-15(18)12-3-1-2-4-13(12)17-14/h1-8,14,17H,9H2
InChIKeyMVBJVBQIUSGFKC-UHFFFAOYSA-N
XLogP4.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 2-(4-bromophenyl)-2,3-dihydro-1H-quinolin-4-one (CID 10335056) is 2-(4-bromophenyl)-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 2-(4-bromophenyl)-2,3-dihydro-1H-quinolin-4-one is O=C1CC(c2ccc(Br)cc2)Nc2ccccc21.
What is the InChIKey of 2-(4-bromophenyl)-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is MVBJVBQIUSGFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO/c16-11-7-5-10(6-8-11)14-9-15(18)12-3-1-2-4-13(12)17-14/h1-8,14,17H,9H2.
What are the key properties of 2-(4-bromophenyl)-2,3-dihydro-1H-quinolin-4-one?
2-(4-bromophenyl)-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 302.17 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 10335056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).