5-bromo-4-(5-chloroquinolin-8-yl)oxy-N-methylpyrimidin-2-amine

C14H10BrClN4O — CID 80866833

IUPAC5-bromo-4-(5-chloroquinolin-8-yl)oxy-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(Oc2ccc(Cl)c3cccnc23)n1
InChIInChI=1S/C14H10BrClN4O/c1-17-14-19-7-9(15)13(20-14)21-11-5-4-10(16)8-3-2-6-18-12(8)11/h2-7H,1H3,(H,17,19,20)
InChIKeyBQVBENBZBDDSJR-UHFFFAOYSA-N
MW365.62 g/mol
LogP4.27
Rot. Bonds3

About 5-bromo-4-(5-chloroquinolin-8-yl)oxy-N-methylpyrimidin-2-amine

5-bromo-4-(5-chloroquinolin-8-yl)oxy-N-methylpyrimidin-2-amine (PubChem CID 80866833) has the molecular formula C14H10BrClN4O and a molecular weight of 365.62 g/mol. Its IUPAC name is 5-bromo-4-(5-chloroquinolin-8-yl)oxy-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(5-chloroquinolin-8-yl)oxy-N-methylpyrimidin-2-amine
PubChem CID80866833
Molecular FormulaC14H10BrClN4O
Molecular Weight365.62 g/mol
Exact Mass363.97
IUPAC Name5-bromo-4-(5-chloroquinolin-8-yl)oxy-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(Oc2ccc(Cl)c3cccnc23)n1
InChIInChI=1S/C14H10BrClN4O/c1-17-14-19-7-9(15)13(20-14)21-11-5-4-10(16)8-3-2-6-18-12(8)11/h2-7H,1H3,(H,17,19,20)
InChIKeyBQVBENBZBDDSJR-UHFFFAOYSA-N
XLogP4.27
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.62
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(5-chloroquinolin-8-yl)oxy-N-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(5-chloroquinolin-8-yl)oxy-N-methylpyrimidin-2-amine (CID 80866833) is 5-bromo-4-(5-chloroquinolin-8-yl)oxy-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(5-chloroquinolin-8-yl)oxy-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(5-chloroquinolin-8-yl)oxy-N-methylpyrimidin-2-amine is CNc1ncc(Br)c(Oc2ccc(Cl)c3cccnc23)n1.
What is the InChIKey of 5-bromo-4-(5-chloroquinolin-8-yl)oxy-N-methylpyrimidin-2-amine?
The InChIKey is BQVBENBZBDDSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN4O/c1-17-14-19-7-9(15)13(20-14)21-11-5-4-10(16)8-3-2-6-18-12(8)11/h2-7H,1H3,(H,17,19,20).
What are the key properties of 5-bromo-4-(5-chloroquinolin-8-yl)oxy-N-methylpyrimidin-2-amine?
5-bromo-4-(5-chloroquinolin-8-yl)oxy-N-methylpyrimidin-2-amine has a molecular weight of 365.62 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(5-chloroquinolin-8-yl)oxy-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80866833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).