[2-[1-(quinolin-2-ylmethyl)indol-4-yl]oxy-4-pyridinyl]methanamine

C24H20N4O — CID 122516156

IUPAC[2-[1-(quinolin-2-ylmethyl)indol-4-yl]oxy-4-pyridinyl]methanamine
SMILESNCc1ccnc(Oc2cccc3c2ccn3Cc2ccc3ccccc3n2)c1
InChIInChI=1S/C24H20N4O/c25-15-17-10-12-26-24(14-17)29-23-7-3-6-22-20(23)11-13-28(22)16-19-9-8-18-4-1-2-5-21(18)27-19/h1-14H,15-16,25H2
InChIKeyVKFVCHUIDJATKY-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.88
Rot. Bonds5

About [2-[1-(quinolin-2-ylmethyl)indol-4-yl]oxy-4-pyridinyl]methanamine

[2-[1-(quinolin-2-ylmethyl)indol-4-yl]oxy-4-pyridinyl]methanamine (PubChem CID 122516156) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is [2-[1-(quinolin-2-ylmethyl)indol-4-yl]oxy-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[1-(quinolin-2-ylmethyl)indol-4-yl]oxy-4-pyridinyl]methanamine
PubChem CID122516156
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name[2-[1-(quinolin-2-ylmethyl)indol-4-yl]oxy-4-pyridinyl]methanamine
SMILESNCc1ccnc(Oc2cccc3c2ccn3Cc2ccc3ccccc3n2)c1
InChIInChI=1S/C24H20N4O/c25-15-17-10-12-26-24(14-17)29-23-7-3-6-22-20(23)11-13-28(22)16-19-9-8-18-4-1-2-5-21(18)27-19/h1-14H,15-16,25H2
InChIKeyVKFVCHUIDJATKY-UHFFFAOYSA-N
XLogP4.88
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(quinolin-2-ylmethyl)indol-4-yl]oxy-4-pyridinyl]methanamine?
The IUPAC name of [2-[1-(quinolin-2-ylmethyl)indol-4-yl]oxy-4-pyridinyl]methanamine (CID 122516156) is [2-[1-(quinolin-2-ylmethyl)indol-4-yl]oxy-4-pyridinyl]methanamine.
What is the SMILES notation for [2-[1-(quinolin-2-ylmethyl)indol-4-yl]oxy-4-pyridinyl]methanamine?
The canonical SMILES for [2-[1-(quinolin-2-ylmethyl)indol-4-yl]oxy-4-pyridinyl]methanamine is NCc1ccnc(Oc2cccc3c2ccn3Cc2ccc3ccccc3n2)c1.
What is the InChIKey of [2-[1-(quinolin-2-ylmethyl)indol-4-yl]oxy-4-pyridinyl]methanamine?
The InChIKey is VKFVCHUIDJATKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c25-15-17-10-12-26-24(14-17)29-23-7-3-6-22-20(23)11-13-28(22)16-19-9-8-18-4-1-2-5-21(18)27-19/h1-14H,15-16,25H2.
What are the key properties of [2-[1-(quinolin-2-ylmethyl)indol-4-yl]oxy-4-pyridinyl]methanamine?
[2-[1-(quinolin-2-ylmethyl)indol-4-yl]oxy-4-pyridinyl]methanamine has a molecular weight of 380.45 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(quinolin-2-ylmethyl)indol-4-yl]oxy-4-pyridinyl]methanamine is sourced from PubChem (CID 122516156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).