1-[2-[5-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethyl]-7-methoxyquinoxalin-2-one

C24H28N4O5 — CID 146503177

IUPAC1-[2-[5-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethyl]-7-methoxyquinoxalin-2-one
SMILESCOc1ccc2ncc(=O)n(CCC3OCC(NCc4cc5c(cn4)OCCC5)CO3)c2c1
InChIInChI=1S/C24H28N4O5/c1-30-19-4-5-20-21(10-19)28(23(29)13-27-20)7-6-24-32-14-18(15-33-24)25-11-17-9-16-3-2-8-31-22(16)12-26-17/h4-5,9-10,12-13,18,24-25H,2-3,6-8,11,14-15H2,1H3
InChIKeyWZHKYZOYGWYQAT-UHFFFAOYSA-N
MW452.51 g/mol
LogP2.05
Rot. Bonds7

About 1-[2-[5-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethyl]-7-methoxyquinoxalin-2-one

1-[2-[5-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethyl]-7-methoxyquinoxalin-2-one (PubChem CID 146503177) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is 1-[2-[5-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethyl]-7-methoxyquinoxalin-2-one.

Molecular Properties

Compound Name1-[2-[5-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethyl]-7-methoxyquinoxalin-2-one
PubChem CID146503177
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name1-[2-[5-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethyl]-7-methoxyquinoxalin-2-one
SMILESCOc1ccc2ncc(=O)n(CCC3OCC(NCc4cc5c(cn4)OCCC5)CO3)c2c1
InChIInChI=1S/C24H28N4O5/c1-30-19-4-5-20-21(10-19)28(23(29)13-27-20)7-6-24-32-14-18(15-33-24)25-11-17-9-16-3-2-8-31-22(16)12-26-17/h4-5,9-10,12-13,18,24-25H,2-3,6-8,11,14-15H2,1H3
InChIKeyWZHKYZOYGWYQAT-UHFFFAOYSA-N
XLogP2.05
TPSA96.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[2-[5-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethyl]-7-methoxyquinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-2-[5-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol
CID 146550035
1-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-5-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one
CID 25030977
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxyquinolin-2-one
CID 11983362
6-[[[2-[1-hydroxy-2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 146503229
1-[[4-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-ylmethylamino)piperidin-1-yl]methyl]-7-fluoro-1,5-naphthyridin-2-one
CID 154556748
1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one
CID 59398079
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-hydroxycyclohexyl]ethyl]-7-methylquinoxalin-2-one;1-[2-(1-hydroxy-4-oxocyclohexyl)ethyl]-7-methylquinoxalin-2-one
CID 159727194
1-[2-[(2S)-2-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]morpholin-4-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
CID 25032544
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-isocyanoquinoxalin-2-one
CID 59397978
7-methoxy-1-[3-[4-[(6-methyl-3-pyridinyl)methylamino]cyclohexyl]propyl]quinoxalin-2-one
CID 163513504
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinolin-2-one;2,2,2-trifluoroacetic acid
CID 56834757
CID 159366463
CID 159366463

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethyl]-7-methoxyquinoxalin-2-one?
The IUPAC name of 1-[2-[5-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethyl]-7-methoxyquinoxalin-2-one (CID 146503177) is 1-[2-[5-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethyl]-7-methoxyquinoxalin-2-one.
What is the SMILES notation for 1-[2-[5-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethyl]-7-methoxyquinoxalin-2-one?
The canonical SMILES for 1-[2-[5-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethyl]-7-methoxyquinoxalin-2-one is COc1ccc2ncc(=O)n(CCC3OCC(NCc4cc5c(cn4)OCCC5)CO3)c2c1.
What is the InChIKey of 1-[2-[5-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethyl]-7-methoxyquinoxalin-2-one?
The InChIKey is WZHKYZOYGWYQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-30-19-4-5-20-21(10-19)28(23(29)13-27-20)7-6-24-32-14-18(15-33-24)25-11-17-9-16-3-2-8-31-22(16)12-26-17/h4-5,9-10,12-13,18,24-25H,2-3,6-8,11,14-15H2,1H3.
What are the key properties of 1-[2-[5-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethyl]-7-methoxyquinoxalin-2-one?
1-[2-[5-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethyl]-7-methoxyquinoxalin-2-one has a molecular weight of 452.51 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]ethyl]-7-methoxyquinoxalin-2-one is sourced from PubChem (CID 146503177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).