6-bromo-N-(2-cyclopropyloxan-4-yl)quinolin-4-amine

C17H19BrN2O — CID 133473645

IUPAC6-bromo-N-(2-cyclopropyloxan-4-yl)quinolin-4-amine
SMILESBrc1ccc2nccc(NC3CCOC(C4CC4)C3)c2c1
InChIInChI=1S/C17H19BrN2O/c18-12-3-4-15-14(9-12)16(5-7-19-15)20-13-6-8-21-17(10-13)11-1-2-11/h3-5,7,9,11,13,17H,1-2,6,8,10H2,(H,19,20)
InChIKeyDJPJFWBQTZAHKJ-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.37
Rot. Bonds3

About 6-bromo-N-(2-cyclopropyloxan-4-yl)quinolin-4-amine

6-bromo-N-(2-cyclopropyloxan-4-yl)quinolin-4-amine (PubChem CID 133473645) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 6-bromo-N-(2-cyclopropyloxan-4-yl)quinolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(2-cyclopropyloxan-4-yl)quinolin-4-amine
PubChem CID133473645
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name6-bromo-N-(2-cyclopropyloxan-4-yl)quinolin-4-amine
SMILESBrc1ccc2nccc(NC3CCOC(C4CC4)C3)c2c1
InChIInChI=1S/C17H19BrN2O/c18-12-3-4-15-14(9-12)16(5-7-19-15)20-13-6-8-21-17(10-13)11-1-2-11/h3-5,7,9,11,13,17H,1-2,6,8,10H2,(H,19,20)
InChIKeyDJPJFWBQTZAHKJ-UHFFFAOYSA-N
XLogP4.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-cyclopropyloxan-4-yl)quinolin-4-amine?
The IUPAC name of 6-bromo-N-(2-cyclopropyloxan-4-yl)quinolin-4-amine (CID 133473645) is 6-bromo-N-(2-cyclopropyloxan-4-yl)quinolin-4-amine.
What is the SMILES notation for 6-bromo-N-(2-cyclopropyloxan-4-yl)quinolin-4-amine?
The canonical SMILES for 6-bromo-N-(2-cyclopropyloxan-4-yl)quinolin-4-amine is Brc1ccc2nccc(NC3CCOC(C4CC4)C3)c2c1.
What is the InChIKey of 6-bromo-N-(2-cyclopropyloxan-4-yl)quinolin-4-amine?
The InChIKey is DJPJFWBQTZAHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c18-12-3-4-15-14(9-12)16(5-7-19-15)20-13-6-8-21-17(10-13)11-1-2-11/h3-5,7,9,11,13,17H,1-2,6,8,10H2,(H,19,20).
What are the key properties of 6-bromo-N-(2-cyclopropyloxan-4-yl)quinolin-4-amine?
6-bromo-N-(2-cyclopropyloxan-4-yl)quinolin-4-amine has a molecular weight of 347.26 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-cyclopropyloxan-4-yl)quinolin-4-amine is sourced from PubChem (CID 133473645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).