2-[2-[[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]methyl]morpholin-4-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol

C27H32N4O5 — CID 69441411

IUPAC2-[2-[[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]methyl]morpholin-4-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
SMILESCOc1ccc2nccc(C(O)CN3CCOC(CNC(C4=CC=CCC4)C4=COC=CO4)C3)c2n1
InChIInChI=1S/C27H32N4O5/c1-33-25-8-7-22-27(30-25)21(9-10-28-22)23(32)17-31-11-12-35-20(16-31)15-29-26(19-5-3-2-4-6-19)24-18-34-13-14-36-24/h2-3,5,7-10,13-14,18,20,23,26,29,32H,4,6,11-12,15-17H2,1H3
InChIKeyIXECWYKORUGRJW-UHFFFAOYSA-N
MW492.58 g/mol
LogP2.97
Rot. Bonds9

About 2-[2-[[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]methyl]morpholin-4-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol

2-[2-[[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]methyl]morpholin-4-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol (PubChem CID 69441411) has the molecular formula C27H32N4O5 and a molecular weight of 492.58 g/mol. Its IUPAC name is 2-[2-[[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]methyl]morpholin-4-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol.

Molecular Properties

Compound Name2-[2-[[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]methyl]morpholin-4-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
PubChem CID69441411
Molecular FormulaC27H32N4O5
Molecular Weight492.58 g/mol
Exact Mass492.24
IUPAC Name2-[2-[[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]methyl]morpholin-4-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
SMILESCOc1ccc2nccc(C(O)CN3CCOC(CNC(C4=CC=CCC4)C4=COC=CO4)C3)c2n1
InChIInChI=1S/C27H32N4O5/c1-33-25-8-7-22-27(30-25)21(9-10-28-22)23(32)17-31-11-12-35-20(16-31)15-29-26(19-5-3-2-4-6-19)24-18-34-13-14-36-24/h2-3,5,7-10,13-14,18,20,23,26,29,32H,4,6,11-12,15-17H2,1H3
InChIKeyIXECWYKORUGRJW-UHFFFAOYSA-N
XLogP2.97
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[2-[[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]methyl]morpholin-4-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 69472341
6-[[[(2R)-4-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 59003262
6-[[[(2S)-4-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 59003254
6-[[[4-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-4H-1,4-benzoxazin-3-one
CID 58989584
2-[1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]oxy-N-(6-methoxy-1,5-naphthyridin-4-yl)acetamide
CID 69473115
(3R,6S)-N-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-6-[(3-methoxyquinoxalin-5-yl)oxymethyl]oxan-3-amine
CID 69469126
(3S)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide
CID 66736118
benzyl N-[[(3S)-1-[(2S)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 59026170
(1R)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 10297708
2-[3-[[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]amino]methyl]piperidin-1-yl]-1-(3-methoxyquinolin-5-yl)ethanol
CID 91110553
N-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-1-[2-(7-methoxyquinoxalin-2-yl)sulfanylethyl]piperidin-4-amine
CID 66747356
2-[4-[[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]amino]-3-fluoropiperidin-1-yl]-1-(3-methoxyquinolin-5-yl)ethanol
CID 91281604

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]methyl]morpholin-4-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
The IUPAC name of 2-[2-[[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]methyl]morpholin-4-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol (CID 69441411) is 2-[2-[[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]methyl]morpholin-4-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol.
What is the SMILES notation for 2-[2-[[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]methyl]morpholin-4-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
The canonical SMILES for 2-[2-[[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]methyl]morpholin-4-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol is COc1ccc2nccc(C(O)CN3CCOC(CNC(C4=CC=CCC4)C4=COC=CO4)C3)c2n1.
What is the InChIKey of 2-[2-[[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]methyl]morpholin-4-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
The InChIKey is IXECWYKORUGRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5/c1-33-25-8-7-22-27(30-25)21(9-10-28-22)23(32)17-31-11-12-35-20(16-31)15-29-26(19-5-3-2-4-6-19)24-18-34-13-14-36-24/h2-3,5,7-10,13-14,18,20,23,26,29,32H,4,6,11-12,15-17H2,1H3.
What are the key properties of 2-[2-[[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]methyl]morpholin-4-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
2-[2-[[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]methyl]morpholin-4-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol has a molecular weight of 492.58 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]amino]methyl]morpholin-4-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol is sourced from PubChem (CID 69441411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).