9-(1-methylpiperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione;9-(piperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione

C35H42N8O6 — CID 159586551

IUPAC9-(1-methylpiperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione;9-(piperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione
SMILESCN1CCC(C(=O)N2CCc3ccc4[nH]c(=O)c(=O)[nH]c4c3C2)CC1.O=C(C1CCNCC1)N1CCc2ccc3[nH]c(=O)c(=O)[nH]c3c2C1
InChIInChI=1S/C18H22N4O3.C17H20N4O3/c1-21-7-4-12(5-8-21)18(25)22-9-6-11-2-3-14-15(13(11)10-22)20-17(24)16(23)19-14;22-15-16(23)20-14-12-9-21(17(24)11-3-6-18-7-4-11)8-5-10(12)1-2-13(14)19-15/h2-3,12H,4-10H2,1H3,(H,19,23)(H,20,24);1-2,11,18H,3-9H2,(H,19,22)(H,20,23)
InChIKeyMJRPHZKTKXHBLD-UHFFFAOYSA-N
MW670.77 g/mol
LogP0.54
Rot. Bonds2

About 9-(1-methylpiperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione;9-(piperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione

9-(1-methylpiperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione;9-(piperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione (PubChem CID 159586551) has the molecular formula C35H42N8O6 and a molecular weight of 670.77 g/mol. Its IUPAC name is 9-(1-methylpiperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione;9-(piperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione.

Molecular Properties

Compound Name9-(1-methylpiperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione;9-(piperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione
PubChem CID159586551
Molecular FormulaC35H42N8O6
Molecular Weight670.77 g/mol
Exact Mass670.32
IUPAC Name9-(1-methylpiperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione;9-(piperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione
SMILESCN1CCC(C(=O)N2CCc3ccc4[nH]c(=O)c(=O)[nH]c4c3C2)CC1.O=C(C1CCNCC1)N1CCc2ccc3[nH]c(=O)c(=O)[nH]c3c2C1
InChIInChI=1S/C18H22N4O3.C17H20N4O3/c1-21-7-4-12(5-8-21)18(25)22-9-6-11-2-3-14-15(13(11)10-22)20-17(24)16(23)19-14;22-15-16(23)20-14-12-9-21(17(24)11-3-6-18-7-4-11)8-5-10(12)1-2-13(14)19-15/h2-3,12H,4-10H2,1H3,(H,19,23)(H,20,24);1-2,11,18H,3-9H2,(H,19,22)(H,20,23)
InChIKeyMJRPHZKTKXHBLD-UHFFFAOYSA-N
XLogP0.54
TPSA187.33 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500670.77
LogP ≤ 50.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 9-(1-methylpiperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione;9-(piperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(1-methylpiperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione;9-(piperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione?
The IUPAC name of 9-(1-methylpiperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione;9-(piperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione (CID 159586551) is 9-(1-methylpiperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione;9-(piperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione.
What is the SMILES notation for 9-(1-methylpiperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione;9-(piperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione?
The canonical SMILES for 9-(1-methylpiperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione;9-(piperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione is CN1CCC(C(=O)N2CCc3ccc4[nH]c(=O)c(=O)[nH]c4c3C2)CC1.O=C(C1CCNCC1)N1CCc2ccc3[nH]c(=O)c(=O)[nH]c3c2C1.
What is the InChIKey of 9-(1-methylpiperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione;9-(piperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione?
The InChIKey is MJRPHZKTKXHBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3.C17H20N4O3/c1-21-7-4-12(5-8-21)18(25)22-9-6-11-2-3-14-15(13(11)10-22)20-17(24)16(23)19-14;22-15-16(23)20-14-12-9-21(17(24)11-3-6-18-7-4-11)8-5-10(12)1-2-13(14)19-15/h2-3,12H,4-10H2,1H3,(H,19,23)(H,20,24);1-2,11,18H,3-9H2,(H,19,22)(H,20,23).
What are the key properties of 9-(1-methylpiperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione;9-(piperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione?
9-(1-methylpiperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione;9-(piperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione has a molecular weight of 670.77 g/mol, XLogP of 0.54, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-methylpiperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione;9-(piperidine-4-carbonyl)-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione is sourced from PubChem (CID 159586551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).