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

C24H29N5O2 — CID 121335611

IUPAC3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
SMILESCc1cccnc1NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1
InChIInChI=1S/C24H29N5O2/c1-17-3-2-8-27-24(17)28-18-4-6-20(7-5-18)31-22-16-19(29-11-13-30-14-12-29)15-21-23(22)26-10-9-25-21/h2-3,8-10,15-16,18,20H,4-7,11-14H2,1H3,(H,27,28)
InChIKeyXXWVLQZMJJUMKK-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.97
Rot. Bonds5

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

3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine (PubChem CID 121335611) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
PubChem CID121335611
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
SMILESCc1cccnc1NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1
InChIInChI=1S/C24H29N5O2/c1-17-3-2-8-27-24(17)28-18-4-6-20(7-5-18)31-22-16-19(29-11-13-30-14-12-29)15-21-23(22)26-10-9-25-21/h2-3,8-10,15-16,18,20H,4-7,11-14H2,1H3,(H,27,28)
InChIKeyXXWVLQZMJJUMKK-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 3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine?
The IUPAC name of 3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine (CID 121335611) is 3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine.
What is the SMILES notation for 3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine?
The canonical SMILES for 3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine is Cc1cccnc1NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.
What is the InChIKey of 3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine?
The InChIKey is XXWVLQZMJJUMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-17-3-2-8-27-24(17)28-18-4-6-20(7-5-18)31-22-16-19(29-11-13-30-14-12-29)15-21-23(22)26-10-9-25-21/h2-3,8-10,15-16,18,20H,4-7,11-14H2,1H3,(H,27,28).
What are the key properties of 3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine?
3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-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 3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine is sourced from PubChem (CID 121335611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).