7-bromo-2-methoxy-5-methylquinolin-6-amine

C11H11BrN2O — CID 167472630

IUPAC7-bromo-2-methoxy-5-methylquinolin-6-amine
SMILESCOc1ccc2c(C)c(N)c(Br)cc2n1
InChIInChI=1S/C11H11BrN2O/c1-6-7-3-4-10(15-2)14-9(7)5-8(12)11(6)13/h3-5H,13H2,1-2H3
InChIKeyVPYUFLRXIYOHQE-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.90
Rot. Bonds1

About 7-bromo-2-methoxy-5-methylquinolin-6-amine

7-bromo-2-methoxy-5-methylquinolin-6-amine (PubChem CID 167472630) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 7-bromo-2-methoxy-5-methylquinolin-6-amine.

Molecular Properties

Compound Name7-bromo-2-methoxy-5-methylquinolin-6-amine
PubChem CID167472630
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name7-bromo-2-methoxy-5-methylquinolin-6-amine
SMILESCOc1ccc2c(C)c(N)c(Br)cc2n1
InChIInChI=1S/C11H11BrN2O/c1-6-7-3-4-10(15-2)14-9(7)5-8(12)11(6)13/h3-5H,13H2,1-2H3
InChIKeyVPYUFLRXIYOHQE-UHFFFAOYSA-N
XLogP2.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methoxy-5-methylquinolin-6-amine?
The IUPAC name of 7-bromo-2-methoxy-5-methylquinolin-6-amine (CID 167472630) is 7-bromo-2-methoxy-5-methylquinolin-6-amine.
What is the SMILES notation for 7-bromo-2-methoxy-5-methylquinolin-6-amine?
The canonical SMILES for 7-bromo-2-methoxy-5-methylquinolin-6-amine is COc1ccc2c(C)c(N)c(Br)cc2n1.
What is the InChIKey of 7-bromo-2-methoxy-5-methylquinolin-6-amine?
The InChIKey is VPYUFLRXIYOHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-6-7-3-4-10(15-2)14-9(7)5-8(12)11(6)13/h3-5H,13H2,1-2H3.
What are the key properties of 7-bromo-2-methoxy-5-methylquinolin-6-amine?
7-bromo-2-methoxy-5-methylquinolin-6-amine has a molecular weight of 267.13 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methoxy-5-methylquinolin-6-amine is sourced from PubChem (CID 167472630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).