N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-amine

C26H30F3N5O3 — CID 121335712

IUPACN-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-amine
SMILESCOC(c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1)C(F)(F)F
InChIInChI=1S/C26H30F3N5O3/c1-35-25(26(27,28)29)17-2-7-23(32-16-17)33-18-3-5-20(6-4-18)37-22-15-19(34-10-12-36-13-11-34)14-21-24(22)31-9-8-30-21/h2,7-9,14-16,18,20,25H,3-6,10-13H2,1H3,(H,32,33)
InChIKeyWDVQRLKYQAPOGZ-UHFFFAOYSA-N
MW517.55 g/mol
LogP4.91
Rot. Bonds7

About N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-amine

N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-amine (PubChem CID 121335712) has the molecular formula C26H30F3N5O3 and a molecular weight of 517.55 g/mol. Its IUPAC name is N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-amine
PubChem CID121335712
Molecular FormulaC26H30F3N5O3
Molecular Weight517.55 g/mol
Exact Mass517.23
IUPAC NameN-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-amine
SMILESCOC(c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1)C(F)(F)F
InChIInChI=1S/C26H30F3N5O3/c1-35-25(26(27,28)29)17-2-7-23(32-16-17)33-18-3-5-20(6-4-18)37-22-15-19(34-10-12-36-13-11-34)14-21-24(22)31-9-8-30-21/h2,7-9,14-16,18,20,25H,3-6,10-13H2,1H3,(H,32,33)
InChIKeyWDVQRLKYQAPOGZ-UHFFFAOYSA-N
XLogP4.91
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.55
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-amine?
The IUPAC name of N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-amine (CID 121335712) is N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-amine.
What is the SMILES notation for N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-amine?
The canonical SMILES for N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-amine is COC(c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1)C(F)(F)F.
What is the InChIKey of N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-amine?
The InChIKey is WDVQRLKYQAPOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N5O3/c1-35-25(26(27,28)29)17-2-7-23(32-16-17)33-18-3-5-20(6-4-18)37-22-15-19(34-10-12-36-13-11-34)14-21-24(22)31-9-8-30-21/h2,7-9,14-16,18,20,25H,3-6,10-13H2,1H3,(H,32,33).
What are the key properties of N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-amine?
N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-amine has a molecular weight of 517.55 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(2,2,2-trifluoro-1-methoxyethyl)pyridin-2-amine is sourced from PubChem (CID 121335712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).