1-[4-methyl-2-(oxolan-3-yloxy)phenyl]-N-(quinolin-8-ylmethyl)methanamine

C22H24N2O2 — CID 71920257

IUPAC1-[4-methyl-2-(oxolan-3-yloxy)phenyl]-N-(quinolin-8-ylmethyl)methanamine
SMILESCc1ccc(CNCc2cccc3cccnc23)c(OC2CCOC2)c1
InChIInChI=1S/C22H24N2O2/c1-16-7-8-18(21(12-16)26-20-9-11-25-15-20)13-23-14-19-5-2-4-17-6-3-10-24-22(17)19/h2-8,10,12,20,23H,9,11,13-15H2,1H3
InChIKeyVWPOITHDBOCHOX-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.00
Rot. Bonds6

About 1-[4-methyl-2-(oxolan-3-yloxy)phenyl]-N-(quinolin-8-ylmethyl)methanamine

1-[4-methyl-2-(oxolan-3-yloxy)phenyl]-N-(quinolin-8-ylmethyl)methanamine (PubChem CID 71920257) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[4-methyl-2-(oxolan-3-yloxy)phenyl]-N-(quinolin-8-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[4-methyl-2-(oxolan-3-yloxy)phenyl]-N-(quinolin-8-ylmethyl)methanamine
PubChem CID71920257
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-[4-methyl-2-(oxolan-3-yloxy)phenyl]-N-(quinolin-8-ylmethyl)methanamine
SMILESCc1ccc(CNCc2cccc3cccnc23)c(OC2CCOC2)c1
InChIInChI=1S/C22H24N2O2/c1-16-7-8-18(21(12-16)26-20-9-11-25-15-20)13-23-14-19-5-2-4-17-6-3-10-24-22(17)19/h2-8,10,12,20,23H,9,11,13-15H2,1H3
InChIKeyVWPOITHDBOCHOX-UHFFFAOYSA-N
XLogP4.00
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(oxolan-3-yloxy)phenyl]-N-(quinolin-8-ylmethyl)methanamine?
The IUPAC name of 1-[4-methyl-2-(oxolan-3-yloxy)phenyl]-N-(quinolin-8-ylmethyl)methanamine (CID 71920257) is 1-[4-methyl-2-(oxolan-3-yloxy)phenyl]-N-(quinolin-8-ylmethyl)methanamine.
What is the SMILES notation for 1-[4-methyl-2-(oxolan-3-yloxy)phenyl]-N-(quinolin-8-ylmethyl)methanamine?
The canonical SMILES for 1-[4-methyl-2-(oxolan-3-yloxy)phenyl]-N-(quinolin-8-ylmethyl)methanamine is Cc1ccc(CNCc2cccc3cccnc23)c(OC2CCOC2)c1.
What is the InChIKey of 1-[4-methyl-2-(oxolan-3-yloxy)phenyl]-N-(quinolin-8-ylmethyl)methanamine?
The InChIKey is VWPOITHDBOCHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16-7-8-18(21(12-16)26-20-9-11-25-15-20)13-23-14-19-5-2-4-17-6-3-10-24-22(17)19/h2-8,10,12,20,23H,9,11,13-15H2,1H3.
What are the key properties of 1-[4-methyl-2-(oxolan-3-yloxy)phenyl]-N-(quinolin-8-ylmethyl)methanamine?
1-[4-methyl-2-(oxolan-3-yloxy)phenyl]-N-(quinolin-8-ylmethyl)methanamine has a molecular weight of 348.45 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(oxolan-3-yloxy)phenyl]-N-(quinolin-8-ylmethyl)methanamine is sourced from PubChem (CID 71920257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).