2-[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]propan-2-ol

C26H33N5O3 — CID 90454152

IUPAC2-[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1
InChIInChI=1S/C26H33N5O3/c1-26(2,32)18-3-8-24(29-17-18)30-19-4-6-21(7-5-19)34-23-16-20(31-11-13-33-14-12-31)15-22-25(23)28-10-9-27-22/h3,8-10,15-17,19,21,32H,4-7,11-14H2,1-2H3,(H,29,30)
InChIKeyJCZHHCBVIRLTEG-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.89
Rot. Bonds6

About 2-[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]propan-2-ol

2-[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]propan-2-ol (PubChem CID 90454152) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 2-[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]propan-2-ol
PubChem CID90454152
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name2-[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1
InChIInChI=1S/C26H33N5O3/c1-26(2,32)18-3-8-24(29-17-18)30-19-4-6-21(7-5-19)34-23-16-20(31-11-13-33-14-12-31)15-22-25(23)28-10-9-27-22/h3,8-10,15-17,19,21,32H,4-7,11-14H2,1-2H3,(H,29,30)
InChIKeyJCZHHCBVIRLTEG-UHFFFAOYSA-N
XLogP3.89
TPSA92.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]propan-2-ol 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

Enrupatinib
CID 134442338
N(2)-[3-methoxy-4-(morpholin-4-yl)phenyl]-N(4)-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10202829
4-[6-Methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxalin-8-yl]morpholine
CID 56648951
(1R)-1-[7-(2-fluoro-5-propan-2-yloxyanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166629066
4-[6-Methoxy-3,4-dimethyl-1-(3-methyl-4-pyridinyl)imidazo[1,5-a]quinoxalin-8-yl]morpholine
CID 56648862
N-[4-[7-[(2R)-2-methylmorpholin-4-yl]quinoxalin-5-yl]oxycyclohexyl]pyrimidin-2-amine
CID 90443905
5-fluoro-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one
CID 90454092
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118051801
(7S)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-7-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118238206
4-(1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluorophenyl)-N-methylpyridin-2-amine
CID 146450441
4-(1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methylphenyl)pyridin-2-amine
CID 146450470
4-(1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl)-3-(6-fluoro-4-methoxy-1H-benzimidazol-2-yl)-5-(3-fluorophenyl)pyridin-2-amine
CID 146450477

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]propan-2-ol (CID 90454152) is 2-[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]propan-2-ol is CC(C)(O)c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.
What is the InChIKey of 2-[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]propan-2-ol?
The InChIKey is JCZHHCBVIRLTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-26(2,32)18-3-8-24(29-17-18)30-19-4-6-21(7-5-19)34-23-16-20(31-11-13-33-14-12-31)15-22-25(23)28-10-9-27-22/h3,8-10,15-17,19,21,32H,4-7,11-14H2,1-2H3,(H,29,30).
What are the key properties of 2-[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]propan-2-ol?
2-[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]propan-2-ol has a molecular weight of 463.58 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 90454152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).