1-[2-[(3R,4R)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-hydroxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one

C24H29N5O5 — CID 71449750

IUPAC1-[2-[(3R,4R)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-hydroxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one
SMILESCOc1ccc2ncc(=O)n(CCN3CC[C@@H](NCc4cc5c(cn4)OCCO5)[C@H](O)C3)c2c1
InChIInChI=1S/C24H29N5O5/c1-32-17-2-3-18-20(11-17)29(24(31)14-27-18)7-6-28-5-4-19(21(30)15-28)26-12-16-10-22-23(13-25-16)34-9-8-33-22/h2-3,10-11,13-14,19,21,26,30H,4-9,12,15H2,1H3/t19-,21-/m1/s1
InChIKeyCWTNGAPXMSGUOV-TZIWHRDSSA-N
MW467.53 g/mol
LogP0.80
Rot. Bonds7

About 1-[2-[(3R,4R)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-hydroxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one

1-[2-[(3R,4R)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-hydroxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one (PubChem CID 71449750) has the molecular formula C24H29N5O5 and a molecular weight of 467.53 g/mol. Its IUPAC name is 1-[2-[(3R,4R)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-hydroxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one.

Molecular Properties

Compound Name1-[2-[(3R,4R)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-hydroxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one
PubChem CID71449750
Molecular FormulaC24H29N5O5
Molecular Weight467.53 g/mol
Exact Mass467.22
IUPAC Name1-[2-[(3R,4R)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-hydroxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one
SMILESCOc1ccc2ncc(=O)n(CCN3CC[C@@H](NCc4cc5c(cn4)OCCO5)[C@H](O)C3)c2c1
InChIInChI=1S/C24H29N5O5/c1-32-17-2-3-18-20(11-17)29(24(31)14-27-18)7-6-28-5-4-19(21(30)15-28)26-12-16-10-22-23(13-25-16)34-9-8-33-22/h2-3,10-11,13-14,19,21,26,30H,4-9,12,15H2,1H3/t19-,21-/m1/s1
InChIKeyCWTNGAPXMSGUOV-TZIWHRDSSA-N
XLogP0.80
TPSA110.97 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[2-[(3R,4R)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-hydroxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R,4R)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-hydroxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one?
The IUPAC name of 1-[2-[(3R,4R)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-hydroxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one (CID 71449750) is 1-[2-[(3R,4R)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-hydroxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one.
What is the SMILES notation for 1-[2-[(3R,4R)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-hydroxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one?
The canonical SMILES for 1-[2-[(3R,4R)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-hydroxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one is COc1ccc2ncc(=O)n(CCN3CC[C@@H](NCc4cc5c(cn4)OCCO5)[C@H](O)C3)c2c1.
What is the InChIKey of 1-[2-[(3R,4R)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-hydroxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one?
The InChIKey is CWTNGAPXMSGUOV-TZIWHRDSSA-N. The full InChI is InChI=1S/C24H29N5O5/c1-32-17-2-3-18-20(11-17)29(24(31)14-27-18)7-6-28-5-4-19(21(30)15-28)26-12-16-10-22-23(13-25-16)34-9-8-33-22/h2-3,10-11,13-14,19,21,26,30H,4-9,12,15H2,1H3/t19-,21-/m1/s1.
What are the key properties of 1-[2-[(3R,4R)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-hydroxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one?
1-[2-[(3R,4R)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-hydroxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one has a molecular weight of 467.53 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R,4R)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-hydroxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one is sourced from PubChem (CID 71449750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).