3-(4-bromophenyl)-7-methoxy-2-methyl-1H-quinolin-4-one

C17H14BrNO2 — CID 170432098

IUPAC3-(4-bromophenyl)-7-methoxy-2-methyl-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)c(-c3ccc(Br)cc3)c(C)[nH]c2c1
InChIInChI=1S/C17H14BrNO2/c1-10-16(11-3-5-12(18)6-4-11)17(20)14-8-7-13(21-2)9-15(14)19-10/h3-9H,1-2H3,(H,19,20)
InChIKeyRYNHVRWHAHHYHN-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.27
Rot. Bonds2

About 3-(4-bromophenyl)-7-methoxy-2-methyl-1H-quinolin-4-one

3-(4-bromophenyl)-7-methoxy-2-methyl-1H-quinolin-4-one (PubChem CID 170432098) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 3-(4-bromophenyl)-7-methoxy-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-7-methoxy-2-methyl-1H-quinolin-4-one
PubChem CID170432098
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name3-(4-bromophenyl)-7-methoxy-2-methyl-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)c(-c3ccc(Br)cc3)c(C)[nH]c2c1
InChIInChI=1S/C17H14BrNO2/c1-10-16(11-3-5-12(18)6-4-11)17(20)14-8-7-13(21-2)9-15(14)19-10/h3-9H,1-2H3,(H,19,20)
InChIKeyRYNHVRWHAHHYHN-UHFFFAOYSA-N
XLogP4.27
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-7-methoxy-2-methyl-1H-quinolin-4-one?
The IUPAC name of 3-(4-bromophenyl)-7-methoxy-2-methyl-1H-quinolin-4-one (CID 170432098) is 3-(4-bromophenyl)-7-methoxy-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-(4-bromophenyl)-7-methoxy-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-(4-bromophenyl)-7-methoxy-2-methyl-1H-quinolin-4-one is COc1ccc2c(=O)c(-c3ccc(Br)cc3)c(C)[nH]c2c1.
What is the InChIKey of 3-(4-bromophenyl)-7-methoxy-2-methyl-1H-quinolin-4-one?
The InChIKey is RYNHVRWHAHHYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-10-16(11-3-5-12(18)6-4-11)17(20)14-8-7-13(21-2)9-15(14)19-10/h3-9H,1-2H3,(H,19,20).
What are the key properties of 3-(4-bromophenyl)-7-methoxy-2-methyl-1H-quinolin-4-one?
3-(4-bromophenyl)-7-methoxy-2-methyl-1H-quinolin-4-one has a molecular weight of 344.21 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-7-methoxy-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 170432098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).