3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine

C25H31N5O2 — CID 121335619

IUPAC3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
SMILESCc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c(C)c1
InChIInChI=1S/C25H31N5O2/c1-17-13-18(2)25(28-16-17)29-19-3-5-21(6-4-19)32-23-15-20(30-9-11-31-12-10-30)14-22-24(23)27-8-7-26-22/h7-8,13-16,19,21H,3-6,9-12H2,1-2H3,(H,28,29)
InChIKeyBQTQGOPUBDXNCE-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.28
Rot. Bonds5

About 3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine

3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine (PubChem CID 121335619) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
PubChem CID121335619
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
SMILESCc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c(C)c1
InChIInChI=1S/C25H31N5O2/c1-17-13-18(2)25(28-16-17)29-19-3-5-21(6-4-19)32-23-15-20(30-9-11-31-12-10-30)14-22-24(23)27-8-7-26-22/h7-8,13-16,19,21H,3-6,9-12H2,1-2H3,(H,28,29)
InChIKeyBQTQGOPUBDXNCE-UHFFFAOYSA-N
XLogP4.28
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine with MolForge

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Related Compounds

3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335611
5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-3-amine
CID 121335923
methanimidoyl 5-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboximidate
CID 139420147
3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335616
5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine
CID 121335808
3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 121335869
5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
CID 90454078
5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazin-2-amine
CID 90454133
2-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]furo[3,2-d]pyrimidin-4-amine
CID 121335912
1-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]indazol-3-amine
CID 121335817
5-fluoro-4-N-methyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine
CID 121335706
2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile
CID 90443904

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine?
The IUPAC name of 3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine (CID 121335619) is 3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine?
The canonical SMILES for 3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine is Cc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c(C)c1.
What is the InChIKey of 3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine?
The InChIKey is BQTQGOPUBDXNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-17-13-18(2)25(28-16-17)29-19-3-5-21(6-4-19)32-23-15-20(30-9-11-31-12-10-30)14-22-24(23)27-8-7-26-22/h7-8,13-16,19,21H,3-6,9-12H2,1-2H3,(H,28,29).
What are the key properties of 3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine?
3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine has a molecular weight of 433.56 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine is sourced from PubChem (CID 121335619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).