2-(2-methylpropyl)-3-oxo-N-(1-phenylethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide

C21H25N3O2 — CID 22427152

IUPAC2-(2-methylpropyl)-3-oxo-N-(1-phenylethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESCC(C)CC1Nc2ccc(C(=O)NC(C)c3ccccc3)cc2NC1=O
InChIInChI=1S/C21H25N3O2/c1-13(2)11-19-21(26)24-18-12-16(9-10-17(18)23-19)20(25)22-14(3)15-7-5-4-6-8-15/h4-10,12-14,19,23H,11H2,1-3H3,(H,22,25)(H,24,26)
InChIKeyILKUUXVPNXQJJW-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.96
Rot. Bonds5

About 2-(2-methylpropyl)-3-oxo-N-(1-phenylethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide

2-(2-methylpropyl)-3-oxo-N-(1-phenylethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide (PubChem CID 22427152) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-oxo-N-(1-phenylethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-oxo-N-(1-phenylethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide
PubChem CID22427152
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-(2-methylpropyl)-3-oxo-N-(1-phenylethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESCC(C)CC1Nc2ccc(C(=O)NC(C)c3ccccc3)cc2NC1=O
InChIInChI=1S/C21H25N3O2/c1-13(2)11-19-21(26)24-18-12-16(9-10-17(18)23-19)20(25)22-14(3)15-7-5-4-6-8-15/h4-10,12-14,19,23H,11H2,1-3H3,(H,22,25)(H,24,26)
InChIKeyILKUUXVPNXQJJW-UHFFFAOYSA-N
XLogP3.96
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3-oxo-N-(1-phenylethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The IUPAC name of 2-(2-methylpropyl)-3-oxo-N-(1-phenylethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide (CID 22427152) is 2-(2-methylpropyl)-3-oxo-N-(1-phenylethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide.
What is the SMILES notation for 2-(2-methylpropyl)-3-oxo-N-(1-phenylethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The canonical SMILES for 2-(2-methylpropyl)-3-oxo-N-(1-phenylethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide is CC(C)CC1Nc2ccc(C(=O)NC(C)c3ccccc3)cc2NC1=O.
What is the InChIKey of 2-(2-methylpropyl)-3-oxo-N-(1-phenylethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The InChIKey is ILKUUXVPNXQJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-13(2)11-19-21(26)24-18-12-16(9-10-17(18)23-19)20(25)22-14(3)15-7-5-4-6-8-15/h4-10,12-14,19,23H,11H2,1-3H3,(H,22,25)(H,24,26).
What are the key properties of 2-(2-methylpropyl)-3-oxo-N-(1-phenylethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide?
2-(2-methylpropyl)-3-oxo-N-(1-phenylethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3-oxo-N-(1-phenylethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide is sourced from PubChem (CID 22427152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).