N-benzyl-4-[2-(cyclohexylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide

C24H28N4O3 — CID 22579814

IUPACN-benzyl-4-[2-(cyclohexylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
SMILESO=C(CN1C(=O)CN(C(=O)NCc2ccccc2)c2ccccc21)NC1CCCCC1
InChIInChI=1S/C24H28N4O3/c29-22(26-19-11-5-2-6-12-19)16-27-20-13-7-8-14-21(20)28(17-23(27)30)24(31)25-15-18-9-3-1-4-10-18/h1,3-4,7-10,13-14,19H,2,5-6,11-12,15-17H2,(H,25,31)(H,26,29)
InChIKeyVNVMALCBOJQTOU-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.20
Rot. Bonds5

About N-benzyl-4-[2-(cyclohexylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide

N-benzyl-4-[2-(cyclohexylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide (PubChem CID 22579814) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-benzyl-4-[2-(cyclohexylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[2-(cyclohexylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
PubChem CID22579814
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-benzyl-4-[2-(cyclohexylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
SMILESO=C(CN1C(=O)CN(C(=O)NCc2ccccc2)c2ccccc21)NC1CCCCC1
InChIInChI=1S/C24H28N4O3/c29-22(26-19-11-5-2-6-12-19)16-27-20-13-7-8-14-21(20)28(17-23(27)30)24(31)25-15-18-9-3-1-4-10-18/h1,3-4,7-10,13-14,19H,2,5-6,11-12,15-17H2,(H,25,31)(H,26,29)
InChIKeyVNVMALCBOJQTOU-UHFFFAOYSA-N
XLogP3.20
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(cyclohexylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide?
The IUPAC name of N-benzyl-4-[2-(cyclohexylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide (CID 22579814) is N-benzyl-4-[2-(cyclohexylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[2-(cyclohexylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide?
The canonical SMILES for N-benzyl-4-[2-(cyclohexylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide is O=C(CN1C(=O)CN(C(=O)NCc2ccccc2)c2ccccc21)NC1CCCCC1.
What is the InChIKey of N-benzyl-4-[2-(cyclohexylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide?
The InChIKey is VNVMALCBOJQTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-22(26-19-11-5-2-6-12-19)16-27-20-13-7-8-14-21(20)28(17-23(27)30)24(31)25-15-18-9-3-1-4-10-18/h1,3-4,7-10,13-14,19H,2,5-6,11-12,15-17H2,(H,25,31)(H,26,29).
What are the key properties of N-benzyl-4-[2-(cyclohexylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide?
N-benzyl-4-[2-(cyclohexylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(cyclohexylamino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide is sourced from PubChem (CID 22579814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).