1-ethyl-7-[4-(3-methylphenyl)-1H-imidazol-5-yl]-4-propan-2-yl-3H-quinoxalin-2-one

C23H26N4O — CID 142168527

IUPAC1-ethyl-7-[4-(3-methylphenyl)-1H-imidazol-5-yl]-4-propan-2-yl-3H-quinoxalin-2-one
SMILESCCN1C(=O)CN(C(C)C)c2ccc(-c3[nH]cnc3-c3cccc(C)c3)cc21
InChIInChI=1S/C23H26N4O/c1-5-26-20-12-18(9-10-19(20)27(15(2)3)13-21(26)28)23-22(24-14-25-23)17-8-6-7-16(4)11-17/h6-12,14-15H,5,13H2,1-4H3,(H,24,25)
InChIKeyCPTXKXALGRLLKR-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.63
Rot. Bonds4

About 1-ethyl-7-[4-(3-methylphenyl)-1H-imidazol-5-yl]-4-propan-2-yl-3H-quinoxalin-2-one

1-ethyl-7-[4-(3-methylphenyl)-1H-imidazol-5-yl]-4-propan-2-yl-3H-quinoxalin-2-one (PubChem CID 142168527) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-ethyl-7-[4-(3-methylphenyl)-1H-imidazol-5-yl]-4-propan-2-yl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name1-ethyl-7-[4-(3-methylphenyl)-1H-imidazol-5-yl]-4-propan-2-yl-3H-quinoxalin-2-one
PubChem CID142168527
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name1-ethyl-7-[4-(3-methylphenyl)-1H-imidazol-5-yl]-4-propan-2-yl-3H-quinoxalin-2-one
SMILESCCN1C(=O)CN(C(C)C)c2ccc(-c3[nH]cnc3-c3cccc(C)c3)cc21
InChIInChI=1S/C23H26N4O/c1-5-26-20-12-18(9-10-19(20)27(15(2)3)13-21(26)28)23-22(24-14-25-23)17-8-6-7-16(4)11-17/h6-12,14-15H,5,13H2,1-4H3,(H,24,25)
InChIKeyCPTXKXALGRLLKR-UHFFFAOYSA-N
XLogP4.63
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-[4-(3-methylphenyl)-1H-imidazol-5-yl]-4-propan-2-yl-3H-quinoxalin-2-one?
The IUPAC name of 1-ethyl-7-[4-(3-methylphenyl)-1H-imidazol-5-yl]-4-propan-2-yl-3H-quinoxalin-2-one (CID 142168527) is 1-ethyl-7-[4-(3-methylphenyl)-1H-imidazol-5-yl]-4-propan-2-yl-3H-quinoxalin-2-one.
What is the SMILES notation for 1-ethyl-7-[4-(3-methylphenyl)-1H-imidazol-5-yl]-4-propan-2-yl-3H-quinoxalin-2-one?
The canonical SMILES for 1-ethyl-7-[4-(3-methylphenyl)-1H-imidazol-5-yl]-4-propan-2-yl-3H-quinoxalin-2-one is CCN1C(=O)CN(C(C)C)c2ccc(-c3[nH]cnc3-c3cccc(C)c3)cc21.
What is the InChIKey of 1-ethyl-7-[4-(3-methylphenyl)-1H-imidazol-5-yl]-4-propan-2-yl-3H-quinoxalin-2-one?
The InChIKey is CPTXKXALGRLLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-5-26-20-12-18(9-10-19(20)27(15(2)3)13-21(26)28)23-22(24-14-25-23)17-8-6-7-16(4)11-17/h6-12,14-15H,5,13H2,1-4H3,(H,24,25).
What are the key properties of 1-ethyl-7-[4-(3-methylphenyl)-1H-imidazol-5-yl]-4-propan-2-yl-3H-quinoxalin-2-one?
1-ethyl-7-[4-(3-methylphenyl)-1H-imidazol-5-yl]-4-propan-2-yl-3H-quinoxalin-2-one has a molecular weight of 374.49 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-[4-(3-methylphenyl)-1H-imidazol-5-yl]-4-propan-2-yl-3H-quinoxalin-2-one is sourced from PubChem (CID 142168527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).