6-bromo-4-(1-propylpyrazol-4-yl)oxyquinolin-3-amine

C15H15BrN4O — CID 116800405

IUPAC6-bromo-4-(1-propylpyrazol-4-yl)oxyquinolin-3-amine
SMILESCCCn1cc(Oc2c(N)cnc3ccc(Br)cc23)cn1
InChIInChI=1S/C15H15BrN4O/c1-2-5-20-9-11(7-19-20)21-15-12-6-10(16)3-4-14(12)18-8-13(15)17/h3-4,6-9H,2,5,17H2,1H3
InChIKeyNGLKONNFZRJKBJ-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.98
Rot. Bonds4

About 6-bromo-4-(1-propylpyrazol-4-yl)oxyquinolin-3-amine

6-bromo-4-(1-propylpyrazol-4-yl)oxyquinolin-3-amine (PubChem CID 116800405) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is 6-bromo-4-(1-propylpyrazol-4-yl)oxyquinolin-3-amine.

Molecular Properties

Compound Name6-bromo-4-(1-propylpyrazol-4-yl)oxyquinolin-3-amine
PubChem CID116800405
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC Name6-bromo-4-(1-propylpyrazol-4-yl)oxyquinolin-3-amine
SMILESCCCn1cc(Oc2c(N)cnc3ccc(Br)cc23)cn1
InChIInChI=1S/C15H15BrN4O/c1-2-5-20-9-11(7-19-20)21-15-12-6-10(16)3-4-14(12)18-8-13(15)17/h3-4,6-9H,2,5,17H2,1H3
InChIKeyNGLKONNFZRJKBJ-UHFFFAOYSA-N
XLogP3.98
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-4-phenoxyquinolin-3-amine
CID 43621409
6-bromo-4-(3-bromophenoxy)quinolin-3-amine
CID 43621410
5-bromo-N'-hydroxy-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114892810
2-(1-propylpyrazol-4-yl)oxypyridin-4-amine
CID 116800439
1-[5-bromo-2-(1-propylpyrazol-4-yl)oxyphenyl]ethanol
CID 116801996
4-bromo-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114904944
3-bromo-5-(1-propylpyrazol-4-yl)oxypyridine
CID 116801056
2-propoxy-4-(1-propylpyrazol-4-yl)oxyaniline
CID 116800416
4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridin-3-amine
CID 106748571
[2-bromo-4-(1-propylpyrazol-4-yl)oxyphenyl]methanamine
CID 107275288
4-methyl-2-(1-propylpyrazol-4-yl)oxypyridin-3-amine
CID 116800363
6-bromo-4-[3-(dimethylamino)propoxy]quinolin-3-amine
CID 61102494

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(1-propylpyrazol-4-yl)oxyquinolin-3-amine?
The IUPAC name of 6-bromo-4-(1-propylpyrazol-4-yl)oxyquinolin-3-amine (CID 116800405) is 6-bromo-4-(1-propylpyrazol-4-yl)oxyquinolin-3-amine.
What is the SMILES notation for 6-bromo-4-(1-propylpyrazol-4-yl)oxyquinolin-3-amine?
The canonical SMILES for 6-bromo-4-(1-propylpyrazol-4-yl)oxyquinolin-3-amine is CCCn1cc(Oc2c(N)cnc3ccc(Br)cc23)cn1.
What is the InChIKey of 6-bromo-4-(1-propylpyrazol-4-yl)oxyquinolin-3-amine?
The InChIKey is NGLKONNFZRJKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c1-2-5-20-9-11(7-19-20)21-15-12-6-10(16)3-4-14(12)18-8-13(15)17/h3-4,6-9H,2,5,17H2,1H3.
What are the key properties of 6-bromo-4-(1-propylpyrazol-4-yl)oxyquinolin-3-amine?
6-bromo-4-(1-propylpyrazol-4-yl)oxyquinolin-3-amine has a molecular weight of 347.22 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(1-propylpyrazol-4-yl)oxyquinolin-3-amine is sourced from PubChem (CID 116800405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).