6-bromo-1-cyclopropylquinolin-4-one

C12H10BrNO — CID 138967912

IUPAC6-bromo-1-cyclopropylquinolin-4-one
SMILESO=c1ccn(C2CC2)c2ccc(Br)cc12
InChIInChI=1S/C12H10BrNO/c13-8-1-4-11-10(7-8)12(15)5-6-14(11)9-2-3-9/h1,4-7,9H,2-3H2
InChIKeyYEWKPCRYZAJITF-UHFFFAOYSA-N
MW264.12 g/mol
LogP3.10
Rot. Bonds1

About 6-bromo-1-cyclopropylquinolin-4-one

6-bromo-1-cyclopropylquinolin-4-one (PubChem CID 138967912) has the molecular formula C12H10BrNO and a molecular weight of 264.12 g/mol. Its IUPAC name is 6-bromo-1-cyclopropylquinolin-4-one.

Molecular Properties

Compound Name6-bromo-1-cyclopropylquinolin-4-one
PubChem CID138967912
Molecular FormulaC12H10BrNO
Molecular Weight264.12 g/mol
Exact Mass262.99
IUPAC Name6-bromo-1-cyclopropylquinolin-4-one
SMILESO=c1ccn(C2CC2)c2ccc(Br)cc12
InChIInChI=1S/C12H10BrNO/c13-8-1-4-11-10(7-8)12(15)5-6-14(11)9-2-3-9/h1,4-7,9H,2-3H2
InChIKeyYEWKPCRYZAJITF-UHFFFAOYSA-N
XLogP3.10
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-cyclopropylquinolin-4-one?
The IUPAC name of 6-bromo-1-cyclopropylquinolin-4-one (CID 138967912) is 6-bromo-1-cyclopropylquinolin-4-one.
What is the SMILES notation for 6-bromo-1-cyclopropylquinolin-4-one?
The canonical SMILES for 6-bromo-1-cyclopropylquinolin-4-one is O=c1ccn(C2CC2)c2ccc(Br)cc12.
What is the InChIKey of 6-bromo-1-cyclopropylquinolin-4-one?
The InChIKey is YEWKPCRYZAJITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO/c13-8-1-4-11-10(7-8)12(15)5-6-14(11)9-2-3-9/h1,4-7,9H,2-3H2.
What are the key properties of 6-bromo-1-cyclopropylquinolin-4-one?
6-bromo-1-cyclopropylquinolin-4-one has a molecular weight of 264.12 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-cyclopropylquinolin-4-one is sourced from PubChem (CID 138967912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).