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

C24H29N5O4 — CID 15982533

IUPAC1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one
SMILESCOc1ccc2ncc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1
InChIInChI=1S/C24H29N5O4/c1-31-19-2-3-20-21(13-19)29(24(30)16-27-20)9-8-28-6-4-17(5-7-28)25-14-18-12-22-23(15-26-18)33-11-10-32-22/h2-3,12-13,15-17,25H,4-11,14H2,1H3
InChIKeyBXRUVICIPTZRAL-UHFFFAOYSA-N
MW451.53 g/mol
LogP1.83
Rot. Bonds7

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

1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one (PubChem CID 15982533) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one
PubChem CID15982533
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one
SMILESCOc1ccc2ncc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1
InChIInChI=1S/C24H29N5O4/c1-31-19-2-3-20-21(13-19)29(24(30)16-27-20)9-8-28-6-4-17(5-7-28)25-14-18-12-22-23(15-26-18)33-11-10-32-22/h2-3,12-13,15-17,25H,4-11,14H2,1H3
InChIKeyBXRUVICIPTZRAL-UHFFFAOYSA-N
XLogP1.83
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one?
The IUPAC name of 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one (CID 15982533) is 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one.
What is the SMILES notation for 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one?
The canonical SMILES for 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one is COc1ccc2ncc(=O)n(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1.
What is the InChIKey of 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one?
The InChIKey is BXRUVICIPTZRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-31-19-2-3-20-21(13-19)29(24(30)16-27-20)9-8-28-6-4-17(5-7-28)25-14-18-12-22-23(15-26-18)33-11-10-32-22/h2-3,12-13,15-17,25H,4-11,14H2,1H3.
What are the key properties of 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one?
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one has a molecular weight of 451.53 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one is sourced from PubChem (CID 15982533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).