N-benzyl-N-cyclohexylquinoxaline-2-carboxamide

C22H23N3O — CID 42776638

IUPACN-benzyl-N-cyclohexylquinoxaline-2-carboxamide
SMILESO=C(c1cnc2ccccc2n1)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C22H23N3O/c26-22(21-15-23-19-13-7-8-14-20(19)24-21)25(18-11-5-2-6-12-18)16-17-9-3-1-4-10-17/h1,3-4,7-10,13-15,18H,2,5-6,11-12,16H2
InChIKeyBRSPVEHUTFSHFO-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.60
Rot. Bonds4

About N-benzyl-N-cyclohexylquinoxaline-2-carboxamide

N-benzyl-N-cyclohexylquinoxaline-2-carboxamide (PubChem CID 42776638) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-benzyl-N-cyclohexylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-cyclohexylquinoxaline-2-carboxamide
PubChem CID42776638
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-benzyl-N-cyclohexylquinoxaline-2-carboxamide
SMILESO=C(c1cnc2ccccc2n1)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C22H23N3O/c26-22(21-15-23-19-13-7-8-14-20(19)24-21)25(18-11-5-2-6-12-18)16-17-9-3-1-4-10-17/h1,3-4,7-10,13-15,18H,2,5-6,11-12,16H2
InChIKeyBRSPVEHUTFSHFO-UHFFFAOYSA-N
XLogP4.60
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclohexylquinoxaline-2-carboxamide?
The IUPAC name of N-benzyl-N-cyclohexylquinoxaline-2-carboxamide (CID 42776638) is N-benzyl-N-cyclohexylquinoxaline-2-carboxamide.
What is the SMILES notation for N-benzyl-N-cyclohexylquinoxaline-2-carboxamide?
The canonical SMILES for N-benzyl-N-cyclohexylquinoxaline-2-carboxamide is O=C(c1cnc2ccccc2n1)N(Cc1ccccc1)C1CCCCC1.
What is the InChIKey of N-benzyl-N-cyclohexylquinoxaline-2-carboxamide?
The InChIKey is BRSPVEHUTFSHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c26-22(21-15-23-19-13-7-8-14-20(19)24-21)25(18-11-5-2-6-12-18)16-17-9-3-1-4-10-17/h1,3-4,7-10,13-15,18H,2,5-6,11-12,16H2.
What are the key properties of N-benzyl-N-cyclohexylquinoxaline-2-carboxamide?
N-benzyl-N-cyclohexylquinoxaline-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclohexylquinoxaline-2-carboxamide is sourced from PubChem (CID 42776638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).