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

C25H31N5O5 — CID 25008249

IUPAC1-[2-[(3S,4S)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-methoxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one
SMILESCOc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4cc5c(cn4)OCCO5)[C@@H](OC)C3)c2c1
InChIInChI=1S/C25H31N5O5/c1-32-18-3-4-19-21(12-18)30(25(31)15-28-19)8-7-29-6-5-20(24(16-29)33-2)27-13-17-11-22-23(14-26-17)35-10-9-34-22/h3-4,11-12,14-15,20,24,27H,5-10,13,16H2,1-2H3/t20-,24-/m0/s1
InChIKeyLRGCXHCITUNWDC-RDPSFJRHSA-N
MW481.55 g/mol
LogP1.45
Rot. Bonds8

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

1-[2-[(3S,4S)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-methoxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one (PubChem CID 25008249) has the molecular formula C25H31N5O5 and a molecular weight of 481.55 g/mol. Its IUPAC name is 1-[2-[(3S,4S)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-methoxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one.

Molecular Properties

Compound Name1-[2-[(3S,4S)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-methoxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one
PubChem CID25008249
Molecular FormulaC25H31N5O5
Molecular Weight481.55 g/mol
Exact Mass481.23
IUPAC Name1-[2-[(3S,4S)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-methoxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one
SMILESCOc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4cc5c(cn4)OCCO5)[C@@H](OC)C3)c2c1
InChIInChI=1S/C25H31N5O5/c1-32-18-3-4-19-21(12-18)30(25(31)15-28-19)8-7-29-6-5-20(24(16-29)33-2)27-13-17-11-22-23(14-26-17)35-10-9-34-22/h3-4,11-12,14-15,20,24,27H,5-10,13,16H2,1-2H3/t20-,24-/m0/s1
InChIKeyLRGCXHCITUNWDC-RDPSFJRHSA-N
XLogP1.45
TPSA99.97 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S,4S)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-methoxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one?
The IUPAC name of 1-[2-[(3S,4S)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-methoxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one (CID 25008249) is 1-[2-[(3S,4S)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-methoxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one.
What is the SMILES notation for 1-[2-[(3S,4S)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-methoxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one?
The canonical SMILES for 1-[2-[(3S,4S)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-methoxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one is COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4cc5c(cn4)OCCO5)[C@@H](OC)C3)c2c1.
What is the InChIKey of 1-[2-[(3S,4S)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-methoxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one?
The InChIKey is LRGCXHCITUNWDC-RDPSFJRHSA-N. The full InChI is InChI=1S/C25H31N5O5/c1-32-18-3-4-19-21(12-18)30(25(31)15-28-19)8-7-29-6-5-20(24(16-29)33-2)27-13-17-11-22-23(14-26-17)35-10-9-34-22/h3-4,11-12,14-15,20,24,27H,5-10,13,16H2,1-2H3/t20-,24-/m0/s1.
What are the key properties of 1-[2-[(3S,4S)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-methoxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one?
1-[2-[(3S,4S)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-methoxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one has a molecular weight of 481.55 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S,4S)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-3-methoxypiperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one is sourced from PubChem (CID 25008249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).