N-[8-amino-2-(2-methylprop-1-enyl)-5,6,9,10-tetrahydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide

C25H28N4O — CID 143000635

IUPACN-[8-amino-2-(2-methylprop-1-enyl)-5,6,9,10-tetrahydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide
SMILESCC(C)=Cc1nc2c(nc1NC(=O)CCc1ccccc1)CCC1=C2CCC(N)=C1
InChIInChI=1S/C25H28N4O/c1-16(2)14-22-25(29-23(30)13-8-17-6-4-3-5-7-17)28-21-12-9-18-15-19(26)10-11-20(18)24(21)27-22/h3-7,14-15H,8-13,26H2,1-2H3,(H,28,29,30)
InChIKeyNGYHYLZCKOVISJ-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.81
Rot. Bonds5

About N-[8-amino-2-(2-methylprop-1-enyl)-5,6,9,10-tetrahydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide

N-[8-amino-2-(2-methylprop-1-enyl)-5,6,9,10-tetrahydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide (PubChem CID 143000635) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[8-amino-2-(2-methylprop-1-enyl)-5,6,9,10-tetrahydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[8-amino-2-(2-methylprop-1-enyl)-5,6,9,10-tetrahydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide
PubChem CID143000635
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC NameN-[8-amino-2-(2-methylprop-1-enyl)-5,6,9,10-tetrahydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide
SMILESCC(C)=Cc1nc2c(nc1NC(=O)CCc1ccccc1)CCC1=C2CCC(N)=C1
InChIInChI=1S/C25H28N4O/c1-16(2)14-22-25(29-23(30)13-8-17-6-4-3-5-7-17)28-21-12-9-18-15-19(26)10-11-20(18)24(21)27-22/h3-7,14-15H,8-13,26H2,1-2H3,(H,28,29,30)
InChIKeyNGYHYLZCKOVISJ-UHFFFAOYSA-N
XLogP4.81
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[8-amino-2-(2-methylprop-1-enyl)-5,6,9,10-tetrahydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[8-amino-2-(2-methylprop-1-enyl)-5,6,9,10-tetrahydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide (CID 143000635) is N-[8-amino-2-(2-methylprop-1-enyl)-5,6,9,10-tetrahydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[8-amino-2-(2-methylprop-1-enyl)-5,6,9,10-tetrahydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[8-amino-2-(2-methylprop-1-enyl)-5,6,9,10-tetrahydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide is CC(C)=Cc1nc2c(nc1NC(=O)CCc1ccccc1)CCC1=C2CCC(N)=C1.
What is the InChIKey of N-[8-amino-2-(2-methylprop-1-enyl)-5,6,9,10-tetrahydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide?
The InChIKey is NGYHYLZCKOVISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-16(2)14-22-25(29-23(30)13-8-17-6-4-3-5-7-17)28-21-12-9-18-15-19(26)10-11-20(18)24(21)27-22/h3-7,14-15H,8-13,26H2,1-2H3,(H,28,29,30).
What are the key properties of N-[8-amino-2-(2-methylprop-1-enyl)-5,6,9,10-tetrahydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide?
N-[8-amino-2-(2-methylprop-1-enyl)-5,6,9,10-tetrahydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide has a molecular weight of 400.53 g/mol, XLogP of 4.81, 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-methylprop-1-enyl)-5,6,9,10-tetrahydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 143000635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).