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

C24H29N5O3 — CID 121335616

IUPAC3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
SMILESCOc1cccnc1NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1
InChIInChI=1S/C24H29N5O3/c1-30-21-3-2-8-27-24(21)28-17-4-6-19(7-5-17)32-22-16-18(29-11-13-31-14-12-29)15-20-23(22)26-10-9-25-20/h2-3,8-10,15-17,19H,4-7,11-14H2,1H3,(H,27,28)
InChIKeyQLWJMWDXJVPHTI-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.67
Rot. Bonds6

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

3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine (PubChem CID 121335616) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine.

Molecular Properties

Compound Name3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
PubChem CID121335616
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
SMILESCOc1cccnc1NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1
InChIInChI=1S/C24H29N5O3/c1-30-21-3-2-8-27-24(21)28-17-4-6-19(7-5-17)32-22-16-18(29-11-13-31-14-12-29)15-20-23(22)26-10-9-25-20/h2-3,8-10,15-17,19H,4-7,11-14H2,1H3,(H,27,28)
InChIKeyQLWJMWDXJVPHTI-UHFFFAOYSA-N
XLogP3.67
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine?
The IUPAC name of 3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine (CID 121335616) is 3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine.
What is the SMILES notation for 3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine?
The canonical SMILES for 3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine is COc1cccnc1NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.
What is the InChIKey of 3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine?
The InChIKey is QLWJMWDXJVPHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-30-21-3-2-8-27-24(21)28-17-4-6-19(7-5-17)32-22-16-18(29-11-13-31-14-12-29)15-20-23(22)26-10-9-25-20/h2-3,8-10,15-17,19H,4-7,11-14H2,1H3,(H,27,28).
What are the key properties of 3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine?
3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine has a molecular weight of 435.53 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine is sourced from PubChem (CID 121335616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).