N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide

C25H23N3O2 — CID 7580923

IUPACN-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)NC(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C25H23N3O2/c1-3-28-22-15-14-20(16-21(22)26-17(2)25(28)30)24(29)27-23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16,23H,3H2,1-2H3,(H,27,29)
InChIKeyDQQFMYIGGFQTDV-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.24
Rot. Bonds5

About N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide

N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide (PubChem CID 7580923) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
PubChem CID7580923
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)NC(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C25H23N3O2/c1-3-28-22-15-14-20(16-21(22)26-17(2)25(28)30)24(29)27-23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16,23H,3H2,1-2H3,(H,27,29)
InChIKeyDQQFMYIGGFQTDV-UHFFFAOYSA-N
XLogP4.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide
CID 46684618
1-ethyl-3-methyl-N-(5-methylhexan-2-yl)-2-oxoquinoxaline-6-carboxamide
CID 24659166
1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
N-[(1S)-1-(1-adamantyl)ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7581021
N-(3-acetylphenyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7992599
1-ethyl-3-methyl-2-oxo-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoxaline-6-carboxamide
CID 41013801
1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide
CID 9455424
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 31563164
1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide
CID 24655019
1-ethyl-3-methyl-N-[3-(N-methylanilino)propyl]-2-oxoquinoxaline-6-carboxamide
CID 37315842
1-ethyl-3-methyl-N-(4-methyl-2-pyridinyl)-2-oxoquinoxaline-6-carboxamide
CID 35029668
1-ethyl-3-methyl-2-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]quinoxaline-6-carboxamide
CID 31954457

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide?
The IUPAC name of N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide (CID 7580923) is N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide.
What is the SMILES notation for N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide?
The canonical SMILES for N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide is CCn1c(=O)c(C)nc2cc(C(=O)NC(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide?
The InChIKey is DQQFMYIGGFQTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-3-28-22-15-14-20(16-21(22)26-17(2)25(28)30)24(29)27-23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16,23H,3H2,1-2H3,(H,27,29).
What are the key properties of N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide?
N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide is sourced from PubChem (CID 7580923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).