[4-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-6-ium-5-yl]morpholin-2-yl]methanol

C26H27N4O2+ — CID 123980757

IUPAC[4-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-6-ium-5-yl]morpholin-2-yl]methanol
SMILESNCc1ccc(-c2nc3cc[nH+]c(N4CCOC(CO)C4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C26H26N4O2/c27-15-18-6-8-20(9-7-18)25-22(19-4-2-1-3-5-19)14-23-24(29-25)10-11-28-26(23)30-12-13-32-21(16-30)17-31/h1-11,14,21,31H,12-13,15-17,27H2/p+1
InChIKeyXYICZFDHXMYJAI-UHFFFAOYSA-O
MW427.53 g/mol
LogP3.04
Rot. Bonds5

About [4-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-6-ium-5-yl]morpholin-2-yl]methanol

[4-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-6-ium-5-yl]morpholin-2-yl]methanol (PubChem CID 123980757) has the molecular formula C26H27N4O2+ and a molecular weight of 427.53 g/mol. Its IUPAC name is [4-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-6-ium-5-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-6-ium-5-yl]morpholin-2-yl]methanol
PubChem CID123980757
Molecular FormulaC26H27N4O2+
Molecular Weight427.53 g/mol
Exact Mass427.21
IUPAC Name[4-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-6-ium-5-yl]morpholin-2-yl]methanol
SMILESNCc1ccc(-c2nc3cc[nH+]c(N4CCOC(CO)C4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C26H26N4O2/c27-15-18-6-8-20(9-7-18)25-22(19-4-2-1-3-5-19)14-23-24(29-25)10-11-28-26(23)30-12-13-32-21(16-30)17-31/h1-11,14,21,31H,12-13,15-17,27H2/p+1
InChIKeyXYICZFDHXMYJAI-UHFFFAOYSA-O
XLogP3.04
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-6-ium-5-yl]morpholin-2-yl]methanol?
The IUPAC name of [4-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-6-ium-5-yl]morpholin-2-yl]methanol (CID 123980757) is [4-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-6-ium-5-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-6-ium-5-yl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-6-ium-5-yl]morpholin-2-yl]methanol is NCc1ccc(-c2nc3cc[nH+]c(N4CCOC(CO)C4)c3cc2-c2ccccc2)cc1.
What is the InChIKey of [4-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-6-ium-5-yl]morpholin-2-yl]methanol?
The InChIKey is XYICZFDHXMYJAI-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H26N4O2/c27-15-18-6-8-20(9-7-18)25-22(19-4-2-1-3-5-19)14-23-24(29-25)10-11-28-26(23)30-12-13-32-21(16-30)17-31/h1-11,14,21,31H,12-13,15-17,27H2/p+1.
What are the key properties of [4-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-6-ium-5-yl]morpholin-2-yl]methanol?
[4-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-6-ium-5-yl]morpholin-2-yl]methanol has a molecular weight of 427.53 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-6-ium-5-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 123980757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).