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

C24H25N5O5 — CID 159176721

IUPAC6-[(4R)-4-[4-(7-methoxy-2-oxoquinoxalin-1-yl)butyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ncc(=O)n(CCCC[C@@H]3CC(=O)N(c4ccc5c(n4)NC(=O)CO5)C3)c2c1
InChIInChI=1S/C24H25N5O5/c1-33-16-5-6-17-18(11-16)28(23(32)12-25-17)9-3-2-4-15-10-22(31)29(13-15)20-8-7-19-24(26-20)27-21(30)14-34-19/h5-8,11-12,15H,2-4,9-10,13-14H2,1H3,(H,26,27,30)/t15-/m1/s1
InChIKeyLYAODBQTLSSETF-OAHLLOKOSA-N
MW463.49 g/mol
LogP2.35
Rot. Bonds7

About 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

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 (PubChem CID 159176721) has the molecular formula C24H25N5O5 and a molecular weight of 463.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[(4R)-4-[4-(7-methoxy-2-oxoquinoxalin-1-yl)butyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID159176721
Molecular FormulaC24H25N5O5
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC Name6-[(4R)-4-[4-(7-methoxy-2-oxoquinoxalin-1-yl)butyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ncc(=O)n(CCCC[C@@H]3CC(=O)N(c4ccc5c(n4)NC(=O)CO5)C3)c2c1
InChIInChI=1S/C24H25N5O5/c1-33-16-5-6-17-18(11-16)28(23(32)12-25-17)9-3-2-4-15-10-22(31)29(13-15)20-8-7-19-24(26-20)27-21(30)14-34-19/h5-8,11-12,15H,2-4,9-10,13-14H2,1H3,(H,26,27,30)/t15-/m1/s1
InChIKeyLYAODBQTLSSETF-OAHLLOKOSA-N
XLogP2.35
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

6-[(4R)-4-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propylamino]methyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90264365
6-[(4S)-4-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propylamino]methyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90264238
6-[(4R)-4-[5-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)pentyl]-2-oxopyrrolidin-1-yl]-4H-pyrano[3,2-b]pyridin-3-one
CID 162251730
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-[(3aR,7aS)-5-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 137459984
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-[(3aS,6S,7aS)-6-[3-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)propylamino]-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 130303467
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
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-[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-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzoxazin-3-one
CID 59398425

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2ncc(=O)n(CCCC[C@@H]3CC(=O)N(c4ccc5c(n4)NC(=O)CO5)C3)c2c1.
What is the InChIKey of 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?
The InChIKey is LYAODBQTLSSETF-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H25N5O5/c1-33-16-5-6-17-18(11-16)28(23(32)12-25-17)9-3-2-4-15-10-22(31)29(13-15)20-8-7-19-24(26-20)27-21(30)14-34-19/h5-8,11-12,15H,2-4,9-10,13-14H2,1H3,(H,26,27,30)/t15-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 463.49 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159176721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).