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

C23H25N5O7 — CID 146503229

IUPAC6-[[[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
SMILESCOc1ccc2ncc(=O)n(CC(O)C3OCC(NCc4ccc5c(n4)NC(=O)CO5)CO3)c2c1
InChIInChI=1S/C23H25N5O7/c1-32-15-3-4-16-17(6-15)28(21(31)8-25-16)9-18(29)23-34-10-14(11-35-23)24-7-13-2-5-19-22(26-13)27-20(30)12-33-19/h2-6,8,14,18,23-24,29H,7,9-12H2,1H3,(H,26,27,30)
InChIKeyNXVKRVQVXQSXST-UHFFFAOYSA-N
MW483.48 g/mol
LogP0.02
Rot. Bonds7

About 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

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 (PubChem CID 146503229) has the molecular formula C23H25N5O7 and a molecular weight of 483.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[[[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
PubChem CID146503229
Molecular FormulaC23H25N5O7
Molecular Weight483.48 g/mol
Exact Mass483.18
IUPAC Name6-[[[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
SMILESCOc1ccc2ncc(=O)n(CC(O)C3OCC(NCc4ccc5c(n4)NC(=O)CO5)CO3)c2c1
InChIInChI=1S/C23H25N5O7/c1-32-15-3-4-16-17(6-15)28(21(31)8-25-16)9-18(29)23-34-10-14(11-35-23)24-7-13-2-5-19-22(26-13)27-20(30)12-33-19/h2-6,8,14,18,23-24,29H,7,9-12H2,1H3,(H,26,27,30)
InChIKeyNXVKRVQVXQSXST-UHFFFAOYSA-N
XLogP0.02
TPSA146.06 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.48
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 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 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

6-[[[(3R,4S)-3-hydroxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
CID 25008766
6-[2-[4-[1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]cyclohexyl]ethyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 58523967
6-[[[(3S,4R)-3-fluoro-1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90644115
6-[[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 71152864
2-[[[4-[1-amino-2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]cyclohexyl]amino]methyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 67010777
6-[[[8-[2-(6-chloro-3-methoxyquinoxalin-5-yl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 58989579
6-[[[1-[1-hydroxy-2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
CID 90355492
but-2-enedioic acid;6-[[[(3S,4S)-4-hydroxy-1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 68993659
6-[(3aS,6S,7aR)-6-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 130303378
6-[[[1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzoxazin-3-one
CID 59398425
methyl 2-[[6-oxo-5-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[3.2.2]nonan-1-yl]ethyl]-1,5-naphthyridin-3-yl]oxymethyl]cyclopropane-1-carboxylate
CID 123190741
6-[(4R)-4-[4-(7-methoxy-2-oxoquinoxalin-1-yl)butyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 159176721

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2ncc(=O)n(CC(O)C3OCC(NCc4ccc5c(n4)NC(=O)CO5)CO3)c2c1.
What is the InChIKey of 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?
The InChIKey is NXVKRVQVXQSXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O7/c1-32-15-3-4-16-17(6-15)28(21(31)8-25-16)9-18(29)23-34-10-14(11-35-23)24-7-13-2-5-19-22(26-13)27-20(30)12-33-19/h2-6,8,14,18,23-24,29H,7,9-12H2,1H3,(H,26,27,30).
What are the key properties of 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?
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 has a molecular weight of 483.48 g/mol, XLogP of 0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146503229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).