N-(2-benzyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylbutanamide

C24H25N3O2 — CID 136625019

IUPACN-(2-benzyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1nc2c(nc1Cc1ccccc1)-c1ccc(O)cc1CC2
InChIInChI=1S/C24H25N3O2/c1-15(2)12-22(29)27-24-21(13-16-6-4-3-5-7-16)25-23-19-10-9-18(28)14-17(19)8-11-20(23)26-24/h3-7,9-10,14-15,28H,8,11-13H2,1-2H3,(H,26,27,29)
InChIKeyUPVVUJCYIAARRJ-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.52
Rot. Bonds5

About N-(2-benzyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylbutanamide

N-(2-benzyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylbutanamide (PubChem CID 136625019) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-(2-benzyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-benzyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylbutanamide
PubChem CID136625019
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-(2-benzyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1nc2c(nc1Cc1ccccc1)-c1ccc(O)cc1CC2
InChIInChI=1S/C24H25N3O2/c1-15(2)12-22(29)27-24-21(13-16-6-4-3-5-7-16)25-23-19-10-9-18(28)14-17(19)8-11-20(23)26-24/h3-7,9-10,14-15,28H,8,11-13H2,1-2H3,(H,26,27,29)
InChIKeyUPVVUJCYIAARRJ-UHFFFAOYSA-N
XLogP4.52
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-methylbutanamide
CID 136625072
N-[2-(cyclopentylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide
CID 136625388
N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide
CID 137158320
N-[8-hydroxy-2-[(E)-2-phenylethenyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide
CID 140639327
N-(3-benzyl-7-hydroxy-9H-indeno[1,2-b]pyrazin-2-yl)-3-phenylpropanamide
CID 140639333
N-[8-hydroxy-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
CID 136625036
N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide
CID 136625045
2-(4-chlorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
CID 136625384
N-[2-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide
CID 143000361
N-[2-benzyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide
CID 123426172
N-(2-ethyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-naphthalen-2-ylacetamide
CID 136625034
2-(3,4-difluorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
CID 136625385

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylbutanamide?
The IUPAC name of N-(2-benzyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylbutanamide (CID 136625019) is N-(2-benzyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylbutanamide.
What is the SMILES notation for N-(2-benzyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylbutanamide?
The canonical SMILES for N-(2-benzyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylbutanamide is CC(C)CC(=O)Nc1nc2c(nc1Cc1ccccc1)-c1ccc(O)cc1CC2.
What is the InChIKey of N-(2-benzyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylbutanamide?
The InChIKey is UPVVUJCYIAARRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-15(2)12-22(29)27-24-21(13-16-6-4-3-5-7-16)25-23-19-10-9-18(28)14-17(19)8-11-20(23)26-24/h3-7,9-10,14-15,28H,8,11-13H2,1-2H3,(H,26,27,29).
What are the key properties of N-(2-benzyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylbutanamide?
N-(2-benzyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylbutanamide has a molecular weight of 387.48 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylbutanamide is sourced from PubChem (CID 136625019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).