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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Related Compounds

1-N-(6-bromoquinolin-4-yl)-4-N,4-N-diethylcyclohexane-1,4-diamine
CID 173470241
N-(2-cyclopropyloxan-4-yl)pyridin-2-amine
CID 133473667
N-(2-cyclopropyloxan-4-yl)-2-methyl-6-nitroquinolin-4-amine
CID 133473539
6-bromo-N-propan-2-ylquinolin-4-amine
CID 150956944
6-fluoro-N-piperidin-4-ylquinolin-4-amine
CID 68720863
methyl 6-bromo-4-[(2-phenyloxan-4-yl)amino]quinoline-2-carboxylate
CID 133474199
6-bromo-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]quinolin-4-amine
CID 133415596
6-bromo-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]quinazolin-4-amine
CID 167967292
6-fluoro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine
CID 68720572
N-[(6-bromoquinolin-4-yl)methyl]cyclobutanamine
CID 178046560
4-(cyclohexylamino)quinolin-6-ol;hydrate;hydrobromide
CID 22417951
2-cyclopropyl-N-(4-iodo-2-nitrophenyl)oxan-4-amine
CID 133473641

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).