1-methyl-8-[4-(5-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-one

C24H29N5O4 — CID 139342834

IUPAC1-methyl-8-[4-(5-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-one
SMILESCc1cnc(OC2CCC(Oc3cc(N4CCOCC4)cc4ncc(=O)n(C)c34)CC2)nc1
InChIInChI=1S/C24H29N5O4/c1-16-13-26-24(27-14-16)33-19-5-3-18(4-6-19)32-21-12-17(29-7-9-31-10-8-29)11-20-23(21)28(2)22(30)15-25-20/h11-15,18-19H,3-10H2,1-2H3
InChIKeyBXOWZQSADLGRHV-UHFFFAOYSA-N
MW451.53 g/mol
LogP2.64
Rot. Bonds5

About 1-methyl-8-[4-(5-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-one

1-methyl-8-[4-(5-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-one (PubChem CID 139342834) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is 1-methyl-8-[4-(5-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-8-[4-(5-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-one
PubChem CID139342834
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name1-methyl-8-[4-(5-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-one
SMILESCc1cnc(OC2CCC(Oc3cc(N4CCOCC4)cc4ncc(=O)n(C)c34)CC2)nc1
InChIInChI=1S/C24H29N5O4/c1-16-13-26-24(27-14-16)33-19-5-3-18(4-6-19)32-21-12-17(29-7-9-31-10-8-29)11-20-23(21)28(2)22(30)15-25-20/h11-15,18-19H,3-10H2,1-2H3
InChIKeyBXOWZQSADLGRHV-UHFFFAOYSA-N
XLogP2.64
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-[4-(5-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-one?
The IUPAC name of 1-methyl-8-[4-(5-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-one (CID 139342834) is 1-methyl-8-[4-(5-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-one.
What is the SMILES notation for 1-methyl-8-[4-(5-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-one?
The canonical SMILES for 1-methyl-8-[4-(5-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-one is Cc1cnc(OC2CCC(Oc3cc(N4CCOCC4)cc4ncc(=O)n(C)c34)CC2)nc1.
What is the InChIKey of 1-methyl-8-[4-(5-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-one?
The InChIKey is BXOWZQSADLGRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-16-13-26-24(27-14-16)33-19-5-3-18(4-6-19)32-21-12-17(29-7-9-31-10-8-29)11-20-23(21)28(2)22(30)15-25-20/h11-15,18-19H,3-10H2,1-2H3.
What are the key properties of 1-methyl-8-[4-(5-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-one?
1-methyl-8-[4-(5-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-one has a molecular weight of 451.53 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-[4-(5-methylpyrimidin-2-yl)oxycyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-one is sourced from PubChem (CID 139342834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).