N-[[2-(oxetan-3-yloxy)quinolin-4-yl]methyl]propan-2-amine

C16H20N2O2 — CID 102607873

IUPACN-[[2-(oxetan-3-yloxy)quinolin-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(OC2COC2)nc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-11(2)17-8-12-7-16(20-13-9-19-10-13)18-15-6-4-3-5-14(12)15/h3-7,11,13,17H,8-10H2,1-2H3
InChIKeyKYSLBVUBUBDHSC-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.51
Rot. Bonds5

About N-[[2-(oxetan-3-yloxy)quinolin-4-yl]methyl]propan-2-amine

N-[[2-(oxetan-3-yloxy)quinolin-4-yl]methyl]propan-2-amine (PubChem CID 102607873) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[[2-(oxetan-3-yloxy)quinolin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(oxetan-3-yloxy)quinolin-4-yl]methyl]propan-2-amine
PubChem CID102607873
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[[2-(oxetan-3-yloxy)quinolin-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(OC2COC2)nc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-11(2)17-8-12-7-16(20-13-9-19-10-13)18-15-6-4-3-5-14(12)15/h3-7,11,13,17H,8-10H2,1-2H3
InChIKeyKYSLBVUBUBDHSC-UHFFFAOYSA-N
XLogP2.51
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-2-(oxetan-3-yloxy)quinoline
CID 102607148
N-[[1-(oxetan-3-yloxy)isoquinolin-3-yl]methyl]propan-2-amine
CID 102608007
N-[[2-(oxetan-3-yloxy)-6-propan-2-yl-4-pyridinyl]methyl]propan-2-amine
CID 102607974
N-[[2-(3-methylbut-3-enoxy)quinolin-4-yl]methyl]propan-2-amine
CID 114470472
N-[[5-fluoro-2-(oxetan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 114035738
[2-(3,5-dimethylcyclohexyl)oxyquinolin-4-yl]methanamine
CID 64729365
N-ethyl-4-[(propan-2-ylamino)methyl]-N-propylquinolin-2-amine
CID 62279533
[4-(oxetan-3-yloxy)quinolin-2-yl]methanol
CID 102607123
N-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine
CID 107134518
N-[[2-(4-methylpyrazol-1-yl)quinolin-4-yl]methyl]propan-2-amine
CID 62294566
N-[[2-(cyclopropylmethoxy)quinolin-4-yl]methyl]-2-methylpropan-2-amine
CID 62291505
N-[[6-(oxolan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 63556915

Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxetan-3-yloxy)quinolin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(oxetan-3-yloxy)quinolin-4-yl]methyl]propan-2-amine (CID 102607873) is N-[[2-(oxetan-3-yloxy)quinolin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(oxetan-3-yloxy)quinolin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(oxetan-3-yloxy)quinolin-4-yl]methyl]propan-2-amine is CC(C)NCc1cc(OC2COC2)nc2ccccc12.
What is the InChIKey of N-[[2-(oxetan-3-yloxy)quinolin-4-yl]methyl]propan-2-amine?
The InChIKey is KYSLBVUBUBDHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(2)17-8-12-7-16(20-13-9-19-10-13)18-15-6-4-3-5-14(12)15/h3-7,11,13,17H,8-10H2,1-2H3.
What are the key properties of N-[[2-(oxetan-3-yloxy)quinolin-4-yl]methyl]propan-2-amine?
N-[[2-(oxetan-3-yloxy)quinolin-4-yl]methyl]propan-2-amine has a molecular weight of 272.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxetan-3-yloxy)quinolin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 102607873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).