7-[[3-[(pyridin-2-ylmethylamino)methyl]phenoxy]methyl]quinolin-2-amine

C23H22N4O — CID 155926525

IUPAC7-[[3-[(pyridin-2-ylmethylamino)methyl]phenoxy]methyl]quinolin-2-amine
SMILESNc1ccc2ccc(COc3cccc(CNCc4ccccn4)c3)cc2n1
InChIInChI=1S/C23H22N4O/c24-23-10-9-19-8-7-18(13-22(19)27-23)16-28-21-6-3-4-17(12-21)14-25-15-20-5-1-2-11-26-20/h1-13,25H,14-16H2,(H2,24,27)
InChIKeyMZJVFMHLRQGSTA-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.08
Rot. Bonds7

About 7-[[3-[(pyridin-2-ylmethylamino)methyl]phenoxy]methyl]quinolin-2-amine

7-[[3-[(pyridin-2-ylmethylamino)methyl]phenoxy]methyl]quinolin-2-amine (PubChem CID 155926525) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 7-[[3-[(pyridin-2-ylmethylamino)methyl]phenoxy]methyl]quinolin-2-amine.

Molecular Properties

Compound Name7-[[3-[(pyridin-2-ylmethylamino)methyl]phenoxy]methyl]quinolin-2-amine
PubChem CID155926525
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name7-[[3-[(pyridin-2-ylmethylamino)methyl]phenoxy]methyl]quinolin-2-amine
SMILESNc1ccc2ccc(COc3cccc(CNCc4ccccn4)c3)cc2n1
InChIInChI=1S/C23H22N4O/c24-23-10-9-19-8-7-18(13-22(19)27-23)16-28-21-6-3-4-17(12-21)14-25-15-20-5-1-2-11-26-20/h1-13,25H,14-16H2,(H2,24,27)
InChIKeyMZJVFMHLRQGSTA-UHFFFAOYSA-N
XLogP4.08
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-[(pyridin-2-ylmethylamino)methyl]phenoxy]methyl]quinolin-2-amine?
The IUPAC name of 7-[[3-[(pyridin-2-ylmethylamino)methyl]phenoxy]methyl]quinolin-2-amine (CID 155926525) is 7-[[3-[(pyridin-2-ylmethylamino)methyl]phenoxy]methyl]quinolin-2-amine.
What is the SMILES notation for 7-[[3-[(pyridin-2-ylmethylamino)methyl]phenoxy]methyl]quinolin-2-amine?
The canonical SMILES for 7-[[3-[(pyridin-2-ylmethylamino)methyl]phenoxy]methyl]quinolin-2-amine is Nc1ccc2ccc(COc3cccc(CNCc4ccccn4)c3)cc2n1.
What is the InChIKey of 7-[[3-[(pyridin-2-ylmethylamino)methyl]phenoxy]methyl]quinolin-2-amine?
The InChIKey is MZJVFMHLRQGSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c24-23-10-9-19-8-7-18(13-22(19)27-23)16-28-21-6-3-4-17(12-21)14-25-15-20-5-1-2-11-26-20/h1-13,25H,14-16H2,(H2,24,27).
What are the key properties of 7-[[3-[(pyridin-2-ylmethylamino)methyl]phenoxy]methyl]quinolin-2-amine?
7-[[3-[(pyridin-2-ylmethylamino)methyl]phenoxy]methyl]quinolin-2-amine has a molecular weight of 370.46 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-[(pyridin-2-ylmethylamino)methyl]phenoxy]methyl]quinolin-2-amine is sourced from PubChem (CID 155926525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).