N-[8-amino-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide

C24H24F2N4O — CID 123552912

IUPACN-[8-amino-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide
SMILESCC(C)Cc1nc2c(nc1NC(=O)Cc1ccc(F)c(F)c1)CCc1cc(N)ccc1-2
InChIInChI=1S/C24H24F2N4O/c1-13(2)9-21-24(30-22(31)11-14-3-7-18(25)19(26)10-14)29-20-8-4-15-12-16(27)5-6-17(15)23(20)28-21/h3,5-7,10,12-13H,4,8-9,11,27H2,1-2H3,(H,29,30,31)
InChIKeyXNHICCHRFZDOGP-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.48
Rot. Bonds5

About N-[8-amino-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide

N-[8-amino-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide (PubChem CID 123552912) has the molecular formula C24H24F2N4O and a molecular weight of 422.48 g/mol. Its IUPAC name is N-[8-amino-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[8-amino-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide
PubChem CID123552912
Molecular FormulaC24H24F2N4O
Molecular Weight422.48 g/mol
Exact Mass422.19
IUPAC NameN-[8-amino-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide
SMILESCC(C)Cc1nc2c(nc1NC(=O)Cc1ccc(F)c(F)c1)CCc1cc(N)ccc1-2
InChIInChI=1S/C24H24F2N4O/c1-13(2)9-21-24(30-22(31)11-14-3-7-18(25)19(26)10-14)29-20-8-4-15-12-16(27)5-6-17(15)23(20)28-21/h3,5-7,10,12-13H,4,8-9,11,27H2,1-2H3,(H,29,30,31)
InChIKeyXNHICCHRFZDOGP-UHFFFAOYSA-N
XLogP4.48
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[8-amino-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide?
The IUPAC name of N-[8-amino-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide (CID 123552912) is N-[8-amino-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for N-[8-amino-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide?
The canonical SMILES for N-[8-amino-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide is CC(C)Cc1nc2c(nc1NC(=O)Cc1ccc(F)c(F)c1)CCc1cc(N)ccc1-2.
What is the InChIKey of N-[8-amino-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide?
The InChIKey is XNHICCHRFZDOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O/c1-13(2)9-21-24(30-22(31)11-14-3-7-18(25)19(26)10-14)29-20-8-4-15-12-16(27)5-6-17(15)23(20)28-21/h3,5-7,10,12-13H,4,8-9,11,27H2,1-2H3,(H,29,30,31).
What are the key properties of N-[8-amino-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide?
N-[8-amino-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide has a molecular weight of 422.48 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 123552912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).