N-methyl-1-(5-quinolin-3-yloxy-3-pyridinyl)methanamine

C16H15N3O — CID 107387617

IUPACN-methyl-1-(5-quinolin-3-yloxy-3-pyridinyl)methanamine
SMILESCNCc1cncc(Oc2cnc3ccccc3c2)c1
InChIInChI=1S/C16H15N3O/c1-17-8-12-6-14(10-18-9-12)20-15-7-13-4-2-3-5-16(13)19-11-15/h2-7,9-11,17H,8H2,1H3
InChIKeyFQUADJVPIHHELU-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.14
Rot. Bonds4

About N-methyl-1-(5-quinolin-3-yloxy-3-pyridinyl)methanamine

N-methyl-1-(5-quinolin-3-yloxy-3-pyridinyl)methanamine (PubChem CID 107387617) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-methyl-1-(5-quinolin-3-yloxy-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-quinolin-3-yloxy-3-pyridinyl)methanamine
PubChem CID107387617
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-methyl-1-(5-quinolin-3-yloxy-3-pyridinyl)methanamine
SMILESCNCc1cncc(Oc2cnc3ccccc3c2)c1
InChIInChI=1S/C16H15N3O/c1-17-8-12-6-14(10-18-9-12)20-15-7-13-4-2-3-5-16(13)19-11-15/h2-7,9-11,17H,8H2,1H3
InChIKeyFQUADJVPIHHELU-UHFFFAOYSA-N
XLogP3.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-quinolin-3-yloxy-3-pyridinyl)methanamine?
The IUPAC name of N-methyl-1-(5-quinolin-3-yloxy-3-pyridinyl)methanamine (CID 107387617) is N-methyl-1-(5-quinolin-3-yloxy-3-pyridinyl)methanamine.
What is the SMILES notation for N-methyl-1-(5-quinolin-3-yloxy-3-pyridinyl)methanamine?
The canonical SMILES for N-methyl-1-(5-quinolin-3-yloxy-3-pyridinyl)methanamine is CNCc1cncc(Oc2cnc3ccccc3c2)c1.
What is the InChIKey of N-methyl-1-(5-quinolin-3-yloxy-3-pyridinyl)methanamine?
The InChIKey is FQUADJVPIHHELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-17-8-12-6-14(10-18-9-12)20-15-7-13-4-2-3-5-16(13)19-11-15/h2-7,9-11,17H,8H2,1H3.
What are the key properties of N-methyl-1-(5-quinolin-3-yloxy-3-pyridinyl)methanamine?
N-methyl-1-(5-quinolin-3-yloxy-3-pyridinyl)methanamine has a molecular weight of 265.32 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-quinolin-3-yloxy-3-pyridinyl)methanamine is sourced from PubChem (CID 107387617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).