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

C24H29N5O2 — CID 121335923

IUPAC5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-3-amine
SMILESCc1cncc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c1
InChIInChI=1S/C24H29N5O2/c1-17-12-19(16-25-15-17)28-18-2-4-21(5-3-18)31-23-14-20(29-8-10-30-11-9-29)13-22-24(23)27-7-6-26-22/h6-7,12-16,18,21,28H,2-5,8-11H2,1H3
InChIKeyIIOVKNZKOROZIM-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.97
Rot. Bonds5

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

5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-3-amine (PubChem CID 121335923) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-3-amine.

Molecular Properties

Compound Name5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-3-amine
PubChem CID121335923
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-3-amine
SMILESCc1cncc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c1
InChIInChI=1S/C24H29N5O2/c1-17-12-19(16-25-15-17)28-18-2-4-21(5-3-18)31-23-14-20(29-8-10-30-11-9-29)13-22-24(23)27-7-6-26-22/h6-7,12-16,18,21,28H,2-5,8-11H2,1H3
InChIKeyIIOVKNZKOROZIM-UHFFFAOYSA-N
XLogP3.97
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-3-amine?
The IUPAC name of 5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-3-amine (CID 121335923) is 5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-3-amine.
What is the SMILES notation for 5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-3-amine?
The canonical SMILES for 5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-3-amine is Cc1cncc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c1.
What is the InChIKey of 5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-3-amine?
The InChIKey is IIOVKNZKOROZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-17-12-19(16-25-15-17)28-18-2-4-21(5-3-18)31-23-14-20(29-8-10-30-11-9-29)13-22-24(23)27-7-6-26-22/h6-7,12-16,18,21,28H,2-5,8-11H2,1H3.
What are the key properties of 5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-3-amine?
5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-3-amine has a molecular weight of 419.53 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-3-amine is sourced from PubChem (CID 121335923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).