1-(6-bromo-4-methylquinolin-3-yl)-3-pyridin-3-ylpropan-2-one;ethane

C20H21BrN2O — CID 158252107

IUPAC1-(6-bromo-4-methylquinolin-3-yl)-3-pyridin-3-ylpropan-2-one;ethane
SMILESCC.Cc1c(CC(=O)Cc2cccnc2)cnc2ccc(Br)cc12
InChIInChI=1S/C18H15BrN2O.C2H6/c1-12-14(8-16(22)7-13-3-2-6-20-10-13)11-21-18-5-4-15(19)9-17(12)18;1-2/h2-6,9-11H,7-8H2,1H3;1-2H3
InChIKeyGGVOLDQSXQQLGT-UHFFFAOYSA-N
MW385.31 g/mol
LogP5.08
Rot. Bonds4

About 1-(6-bromo-4-methylquinolin-3-yl)-3-pyridin-3-ylpropan-2-one;ethane

1-(6-bromo-4-methylquinolin-3-yl)-3-pyridin-3-ylpropan-2-one;ethane (PubChem CID 158252107) has the molecular formula C20H21BrN2O and a molecular weight of 385.31 g/mol. Its IUPAC name is 1-(6-bromo-4-methylquinolin-3-yl)-3-pyridin-3-ylpropan-2-one;ethane.

Molecular Properties

Compound Name1-(6-bromo-4-methylquinolin-3-yl)-3-pyridin-3-ylpropan-2-one;ethane
PubChem CID158252107
Molecular FormulaC20H21BrN2O
Molecular Weight385.31 g/mol
Exact Mass384.08
IUPAC Name1-(6-bromo-4-methylquinolin-3-yl)-3-pyridin-3-ylpropan-2-one;ethane
SMILESCC.Cc1c(CC(=O)Cc2cccnc2)cnc2ccc(Br)cc12
InChIInChI=1S/C18H15BrN2O.C2H6/c1-12-14(8-16(22)7-13-3-2-6-20-10-13)11-21-18-5-4-15(19)9-17(12)18;1-2/h2-6,9-11H,7-8H2,1H3;1-2H3
InChIKeyGGVOLDQSXQQLGT-UHFFFAOYSA-N
XLogP5.08
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.31
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methylphenyl)-2-pyridin-3-ylethanone
CID 115799150
1-(4-bromo-2-methylphenyl)-2-pyridin-3-ylethanone
CID 115799222
1-bromo-3-pyridin-3-ylpropan-2-one;hydrobromide
CID 44818466
1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62551189
1-(4-bromothiophen-2-yl)-3-pyridin-3-ylpropan-2-one
CID 62621207
4-(3-bromophenoxy)-1-pyridin-3-ylbutan-2-one
CID 55086755
1-(3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621028
4-bromo-2-[(2-pyridin-3-ylacetyl)amino]benzoic acid
CID 62691044
1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one
CID 55096177
1-(4-tert-butylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621034
4-methyl-1-pyridin-3-ylpentan-2-one
CID 12999593
N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 62690187

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-4-methylquinolin-3-yl)-3-pyridin-3-ylpropan-2-one;ethane?
The IUPAC name of 1-(6-bromo-4-methylquinolin-3-yl)-3-pyridin-3-ylpropan-2-one;ethane (CID 158252107) is 1-(6-bromo-4-methylquinolin-3-yl)-3-pyridin-3-ylpropan-2-one;ethane.
What is the SMILES notation for 1-(6-bromo-4-methylquinolin-3-yl)-3-pyridin-3-ylpropan-2-one;ethane?
The canonical SMILES for 1-(6-bromo-4-methylquinolin-3-yl)-3-pyridin-3-ylpropan-2-one;ethane is CC.Cc1c(CC(=O)Cc2cccnc2)cnc2ccc(Br)cc12.
What is the InChIKey of 1-(6-bromo-4-methylquinolin-3-yl)-3-pyridin-3-ylpropan-2-one;ethane?
The InChIKey is GGVOLDQSXQQLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O.C2H6/c1-12-14(8-16(22)7-13-3-2-6-20-10-13)11-21-18-5-4-15(19)9-17(12)18;1-2/h2-6,9-11H,7-8H2,1H3;1-2H3.
What are the key properties of 1-(6-bromo-4-methylquinolin-3-yl)-3-pyridin-3-ylpropan-2-one;ethane?
1-(6-bromo-4-methylquinolin-3-yl)-3-pyridin-3-ylpropan-2-one;ethane has a molecular weight of 385.31 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-4-methylquinolin-3-yl)-3-pyridin-3-ylpropan-2-one;ethane is sourced from PubChem (CID 158252107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).