3-phenyl-N-(1,4,7-trimethyl-2,3-dioxoquinoxalin-6-yl)propanamide

C20H21N3O3 — CID 20944533

IUPAC3-phenyl-N-(1,4,7-trimethyl-2,3-dioxoquinoxalin-6-yl)propanamide
SMILESCc1cc2c(cc1NC(=O)CCc1ccccc1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C20H21N3O3/c1-13-11-16-17(23(3)20(26)19(25)22(16)2)12-15(13)21-18(24)10-9-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,21,24)
InChIKeyHZUHAXOSOVYPPM-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.12
Rot. Bonds4

About 3-phenyl-N-(1,4,7-trimethyl-2,3-dioxoquinoxalin-6-yl)propanamide

3-phenyl-N-(1,4,7-trimethyl-2,3-dioxoquinoxalin-6-yl)propanamide (PubChem CID 20944533) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-phenyl-N-(1,4,7-trimethyl-2,3-dioxoquinoxalin-6-yl)propanamide.

Molecular Properties

Compound Name3-phenyl-N-(1,4,7-trimethyl-2,3-dioxoquinoxalin-6-yl)propanamide
PubChem CID20944533
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3-phenyl-N-(1,4,7-trimethyl-2,3-dioxoquinoxalin-6-yl)propanamide
SMILESCc1cc2c(cc1NC(=O)CCc1ccccc1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C20H21N3O3/c1-13-11-16-17(23(3)20(26)19(25)22(16)2)12-15(13)21-18(24)10-9-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,21,24)
InChIKeyHZUHAXOSOVYPPM-UHFFFAOYSA-N
XLogP2.12
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(1,4,7-trimethyl-2,3-dioxoquinoxalin-6-yl)propanamide?
The IUPAC name of 3-phenyl-N-(1,4,7-trimethyl-2,3-dioxoquinoxalin-6-yl)propanamide (CID 20944533) is 3-phenyl-N-(1,4,7-trimethyl-2,3-dioxoquinoxalin-6-yl)propanamide.
What is the SMILES notation for 3-phenyl-N-(1,4,7-trimethyl-2,3-dioxoquinoxalin-6-yl)propanamide?
The canonical SMILES for 3-phenyl-N-(1,4,7-trimethyl-2,3-dioxoquinoxalin-6-yl)propanamide is Cc1cc2c(cc1NC(=O)CCc1ccccc1)n(C)c(=O)c(=O)n2C.
What is the InChIKey of 3-phenyl-N-(1,4,7-trimethyl-2,3-dioxoquinoxalin-6-yl)propanamide?
The InChIKey is HZUHAXOSOVYPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-11-16-17(23(3)20(26)19(25)22(16)2)12-15(13)21-18(24)10-9-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,21,24).
What are the key properties of 3-phenyl-N-(1,4,7-trimethyl-2,3-dioxoquinoxalin-6-yl)propanamide?
3-phenyl-N-(1,4,7-trimethyl-2,3-dioxoquinoxalin-6-yl)propanamide has a molecular weight of 351.41 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(1,4,7-trimethyl-2,3-dioxoquinoxalin-6-yl)propanamide is sourced from PubChem (CID 20944533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).