3-(4-bromophenyl)-1-ethyl-7-methoxy-2-methylquinolin-4-one

C19H18BrNO2 — CID 174156160

IUPAC3-(4-bromophenyl)-1-ethyl-7-methoxy-2-methylquinolin-4-one
SMILESCCn1c(C)c(-c2ccc(Br)cc2)c(=O)c2ccc(OC)cc21
InChIInChI=1S/C19H18BrNO2/c1-4-21-12(2)18(13-5-7-14(20)8-6-13)19(22)16-10-9-15(23-3)11-17(16)21/h5-11H,4H2,1-3H3
InChIKeyPQASIGPXBJIBRZ-UHFFFAOYSA-N
MW372.26 g/mol
LogP4.77
Rot. Bonds3

About 3-(4-bromophenyl)-1-ethyl-7-methoxy-2-methylquinolin-4-one

3-(4-bromophenyl)-1-ethyl-7-methoxy-2-methylquinolin-4-one (PubChem CID 174156160) has the molecular formula C19H18BrNO2 and a molecular weight of 372.26 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-ethyl-7-methoxy-2-methylquinolin-4-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-ethyl-7-methoxy-2-methylquinolin-4-one
PubChem CID174156160
Molecular FormulaC19H18BrNO2
Molecular Weight372.26 g/mol
Exact Mass371.05
IUPAC Name3-(4-bromophenyl)-1-ethyl-7-methoxy-2-methylquinolin-4-one
SMILESCCn1c(C)c(-c2ccc(Br)cc2)c(=O)c2ccc(OC)cc21
InChIInChI=1S/C19H18BrNO2/c1-4-21-12(2)18(13-5-7-14(20)8-6-13)19(22)16-10-9-15(23-3)11-17(16)21/h5-11H,4H2,1-3H3
InChIKeyPQASIGPXBJIBRZ-UHFFFAOYSA-N
XLogP4.77
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-ethyl-7-methoxy-2-methylquinolin-4-one?
The IUPAC name of 3-(4-bromophenyl)-1-ethyl-7-methoxy-2-methylquinolin-4-one (CID 174156160) is 3-(4-bromophenyl)-1-ethyl-7-methoxy-2-methylquinolin-4-one.
What is the SMILES notation for 3-(4-bromophenyl)-1-ethyl-7-methoxy-2-methylquinolin-4-one?
The canonical SMILES for 3-(4-bromophenyl)-1-ethyl-7-methoxy-2-methylquinolin-4-one is CCn1c(C)c(-c2ccc(Br)cc2)c(=O)c2ccc(OC)cc21.
What is the InChIKey of 3-(4-bromophenyl)-1-ethyl-7-methoxy-2-methylquinolin-4-one?
The InChIKey is PQASIGPXBJIBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO2/c1-4-21-12(2)18(13-5-7-14(20)8-6-13)19(22)16-10-9-15(23-3)11-17(16)21/h5-11H,4H2,1-3H3.
What are the key properties of 3-(4-bromophenyl)-1-ethyl-7-methoxy-2-methylquinolin-4-one?
3-(4-bromophenyl)-1-ethyl-7-methoxy-2-methylquinolin-4-one has a molecular weight of 372.26 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-ethyl-7-methoxy-2-methylquinolin-4-one is sourced from PubChem (CID 174156160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).