N-(6-bromo-1-methyl-4-oxoquinolin-3-yl)-N-methylcyclopropanecarboxamide

C15H15BrN2O2 — CID 118935067

IUPACN-(6-bromo-1-methyl-4-oxoquinolin-3-yl)-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)c1cn(C)c2ccc(Br)cc2c1=O
InChIInChI=1S/C15H15BrN2O2/c1-17-8-13(18(2)15(20)9-3-4-9)14(19)11-7-10(16)5-6-12(11)17/h5-9H,3-4H2,1-2H3
InChIKeyLOCSRTWQKCKSAY-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.67
Rot. Bonds2

About N-(6-bromo-1-methyl-4-oxoquinolin-3-yl)-N-methylcyclopropanecarboxamide

N-(6-bromo-1-methyl-4-oxoquinolin-3-yl)-N-methylcyclopropanecarboxamide (PubChem CID 118935067) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-(6-bromo-1-methyl-4-oxoquinolin-3-yl)-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-(6-bromo-1-methyl-4-oxoquinolin-3-yl)-N-methylcyclopropanecarboxamide
PubChem CID118935067
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-(6-bromo-1-methyl-4-oxoquinolin-3-yl)-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)c1cn(C)c2ccc(Br)cc2c1=O
InChIInChI=1S/C15H15BrN2O2/c1-17-8-13(18(2)15(20)9-3-4-9)14(19)11-7-10(16)5-6-12(11)17/h5-9H,3-4H2,1-2H3
InChIKeyLOCSRTWQKCKSAY-UHFFFAOYSA-N
XLogP2.67
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1-methyl-4-oxoquinolin-3-yl)-N-methylcyclopropanecarboxamide?
The IUPAC name of N-(6-bromo-1-methyl-4-oxoquinolin-3-yl)-N-methylcyclopropanecarboxamide (CID 118935067) is N-(6-bromo-1-methyl-4-oxoquinolin-3-yl)-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-(6-bromo-1-methyl-4-oxoquinolin-3-yl)-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-(6-bromo-1-methyl-4-oxoquinolin-3-yl)-N-methylcyclopropanecarboxamide is CN(C(=O)C1CC1)c1cn(C)c2ccc(Br)cc2c1=O.
What is the InChIKey of N-(6-bromo-1-methyl-4-oxoquinolin-3-yl)-N-methylcyclopropanecarboxamide?
The InChIKey is LOCSRTWQKCKSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-17-8-13(18(2)15(20)9-3-4-9)14(19)11-7-10(16)5-6-12(11)17/h5-9H,3-4H2,1-2H3.
What are the key properties of N-(6-bromo-1-methyl-4-oxoquinolin-3-yl)-N-methylcyclopropanecarboxamide?
N-(6-bromo-1-methyl-4-oxoquinolin-3-yl)-N-methylcyclopropanecarboxamide has a molecular weight of 335.20 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1-methyl-4-oxoquinolin-3-yl)-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 118935067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).