6-bromo-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]quinolin-4-amine

C19H18BrN3O2 — CID 133415596

IUPAC6-bromo-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]quinolin-4-amine
SMILESBrc1ccc2nccc(NCc3ccnc(OC4CCOC4)c3)c2c1
InChIInChI=1S/C19H18BrN3O2/c20-14-1-2-17-16(10-14)18(4-7-21-17)23-11-13-3-6-22-19(9-13)25-15-5-8-24-12-15/h1-4,6-7,9-10,15H,5,8,11-12H2,(H,21,23)
InChIKeyQLLFZHLCIIFNIT-UHFFFAOYSA-N
MW400.28 g/mol
LogP4.17
Rot. Bonds5

About 6-bromo-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]quinolin-4-amine

6-bromo-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]quinolin-4-amine (PubChem CID 133415596) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is 6-bromo-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]quinolin-4-amine
PubChem CID133415596
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC Name6-bromo-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]quinolin-4-amine
SMILESBrc1ccc2nccc(NCc3ccnc(OC4CCOC4)c3)c2c1
InChIInChI=1S/C19H18BrN3O2/c20-14-1-2-17-16(10-14)18(4-7-21-17)23-11-13-3-6-22-19(9-13)25-15-5-8-24-12-15/h1-4,6-7,9-10,15H,5,8,11-12H2,(H,21,23)
InChIKeyQLLFZHLCIIFNIT-UHFFFAOYSA-N
XLogP4.17
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-nitro-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]aniline
CID 133415640
N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]cyclopropanamine
CID 63558300
(3R)-2,2,5,5-tetramethyl-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]oxolan-3-amine
CID 97108645
2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]propan-1-amine
CID 55212360
3,5-difluoro-4-[[2-(oxolan-3-yloxy)-4-pyridinyl]methylamino]benzonitrile
CID 133415731
2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133462232
N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1-propan-2-ylpiperidin-4-amine
CID 86786908
1-cyclopent-3-en-1-yl-3-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]urea
CID 97330579
(1S,5S,6R)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 129378989
3-(2-methylphenyl)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]cyclobutan-1-amine
CID 99621949
3-(2-fluorophenyl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133415592
4-bromo-2-fluoropyridine;4-bromo-2-(oxan-3-yloxy)pyridine;oxan-3-ol
CID 161266100

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]quinolin-4-amine?
The IUPAC name of 6-bromo-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]quinolin-4-amine (CID 133415596) is 6-bromo-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]quinolin-4-amine.
What is the SMILES notation for 6-bromo-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]quinolin-4-amine?
The canonical SMILES for 6-bromo-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]quinolin-4-amine is Brc1ccc2nccc(NCc3ccnc(OC4CCOC4)c3)c2c1.
What is the InChIKey of 6-bromo-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]quinolin-4-amine?
The InChIKey is QLLFZHLCIIFNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c20-14-1-2-17-16(10-14)18(4-7-21-17)23-11-13-3-6-22-19(9-13)25-15-5-8-24-12-15/h1-4,6-7,9-10,15H,5,8,11-12H2,(H,21,23).
What are the key properties of 6-bromo-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]quinolin-4-amine?
6-bromo-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]quinolin-4-amine has a molecular weight of 400.28 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]quinolin-4-amine is sourced from PubChem (CID 133415596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).