3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)-1,6-naphthyridin-2-yl]phenol

C23H26N4O3 — CID 90038512

IUPAC3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)-1,6-naphthyridin-2-yl]phenol
SMILESOc1cccc(-c2cc(N3CCOCC3)c3cnc(CN4CCOCC4)cc3n2)c1
InChIInChI=1S/C23H26N4O3/c28-19-3-1-2-17(12-19)21-14-23(27-6-10-30-11-7-27)20-15-24-18(13-22(20)25-21)16-26-4-8-29-9-5-26/h1-3,12-15,28H,4-11,16H2
InChIKeyHBYNYDLUWZNLEK-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.67
Rot. Bonds4

About 3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)-1,6-naphthyridin-2-yl]phenol

3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)-1,6-naphthyridin-2-yl]phenol (PubChem CID 90038512) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)-1,6-naphthyridin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)-1,6-naphthyridin-2-yl]phenol
PubChem CID90038512
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)-1,6-naphthyridin-2-yl]phenol
SMILESOc1cccc(-c2cc(N3CCOCC3)c3cnc(CN4CCOCC4)cc3n2)c1
InChIInChI=1S/C23H26N4O3/c28-19-3-1-2-17(12-19)21-14-23(27-6-10-30-11-7-27)20-15-24-18(13-22(20)25-21)16-26-4-8-29-9-5-26/h1-3,12-15,28H,4-11,16H2
InChIKeyHBYNYDLUWZNLEK-UHFFFAOYSA-N
XLogP2.67
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[8-morpholin-4-yl-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]phenol
CID 57394839
3-[4-methyl-6-(morpholin-4-ylmethyl)quinolin-2-yl]phenol
CID 169415857
3-(3-morpholin-4-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)phenol
CID 129055829
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
3-(2-morpholin-4-ylphenyl)phenol
CID 173316588
4-[[6-(3-hydroxyphenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazine-1-carboxylic acid
CID 90067954
3-(8-morpholin-4-ylimidazo[1,5-a]pyrazin-6-yl)phenol
CID 53353950
3-[7-(aminomethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 131994380
3-[2-(hydroxymethyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]phenol
CID 53353946
3-(4-morpholin-4-ylphenyl)phenol
CID 46887508
4-[(5-methylpyrido[4,3-b]indol-3-yl)methyl]morpholine
CID 13316106
4-[(3-quinolin-2-ylphenyl)methyl]morpholine
CID 50980839

Frequently Asked Questions

What is the IUPAC name of 3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)-1,6-naphthyridin-2-yl]phenol?
The IUPAC name of 3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)-1,6-naphthyridin-2-yl]phenol (CID 90038512) is 3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)-1,6-naphthyridin-2-yl]phenol.
What is the SMILES notation for 3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)-1,6-naphthyridin-2-yl]phenol?
The canonical SMILES for 3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)-1,6-naphthyridin-2-yl]phenol is Oc1cccc(-c2cc(N3CCOCC3)c3cnc(CN4CCOCC4)cc3n2)c1.
What is the InChIKey of 3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)-1,6-naphthyridin-2-yl]phenol?
The InChIKey is HBYNYDLUWZNLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-19-3-1-2-17(12-19)21-14-23(27-6-10-30-11-7-27)20-15-24-18(13-22(20)25-21)16-26-4-8-29-9-5-26/h1-3,12-15,28H,4-11,16H2.
What are the key properties of 3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)-1,6-naphthyridin-2-yl]phenol?
3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)-1,6-naphthyridin-2-yl]phenol has a molecular weight of 406.49 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)-1,6-naphthyridin-2-yl]phenol is sourced from PubChem (CID 90038512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).