3-amino-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one

C15H10BrClN2O — CID 631671

IUPAC3-amino-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one
SMILESNc1c(-c2ccccc2Cl)c2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C15H10BrClN2O/c16-8-5-6-12-10(7-8)13(14(18)15(20)19-12)9-3-1-2-4-11(9)17/h1-7H,18H2,(H,19,20)
InChIKeyRXPHLIAWRAZJSH-UHFFFAOYSA-N
MW349.62 g/mol
LogP4.19
Rot. Bonds1

About 3-amino-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one

3-amino-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one (PubChem CID 631671) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is 3-amino-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-amino-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one
PubChem CID631671
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name3-amino-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one
SMILESNc1c(-c2ccccc2Cl)c2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C15H10BrClN2O/c16-8-5-6-12-10(7-8)13(14(18)15(20)19-12)9-3-1-2-4-11(9)17/h1-7H,18H2,(H,19,20)
InChIKeyRXPHLIAWRAZJSH-UHFFFAOYSA-N
XLogP4.19
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one?
The IUPAC name of 3-amino-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one (CID 631671) is 3-amino-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one.
What is the SMILES notation for 3-amino-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one?
The canonical SMILES for 3-amino-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one is Nc1c(-c2ccccc2Cl)c2cc(Br)ccc2[nH]c1=O.
What is the InChIKey of 3-amino-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one?
The InChIKey is RXPHLIAWRAZJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c16-8-5-6-12-10(7-8)13(14(18)15(20)19-12)9-3-1-2-4-11(9)17/h1-7H,18H2,(H,19,20).
What are the key properties of 3-amino-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one?
3-amino-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one has a molecular weight of 349.62 g/mol, XLogP of 4.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-4-(2-chlorophenyl)-1H-quinolin-2-one is sourced from PubChem (CID 631671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).