2-benzylquinoxaline;(2R)-2-benzyl-1,2,3,4-tetrahydroquinoline

C31H29N3 — CID 159770483

IUPAC2-benzylquinoxaline;(2R)-2-benzyl-1,2,3,4-tetrahydroquinoline
SMILESc1ccc(C[C@H]2CCc3ccccc3N2)cc1.c1ccc(Cc2cnc3ccccc3n2)cc1
InChIInChI=1S/C16H17N.C15H12N2/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)17-15;1-2-6-12(7-3-1)10-13-11-16-14-8-4-5-9-15(14)17-13/h1-9,15,17H,10-12H2;1-9,11H,10H2/t15-;/m1./s1
InChIKeyNGAWRFBISSZIFW-XFULWGLBSA-N
MW443.59 g/mol
LogP6.88
Rot. Bonds4

About 2-benzylquinoxaline;(2R)-2-benzyl-1,2,3,4-tetrahydroquinoline

2-benzylquinoxaline;(2R)-2-benzyl-1,2,3,4-tetrahydroquinoline (PubChem CID 159770483) has the molecular formula C31H29N3 and a molecular weight of 443.59 g/mol. Its IUPAC name is 2-benzylquinoxaline;(2R)-2-benzyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-benzylquinoxaline;(2R)-2-benzyl-1,2,3,4-tetrahydroquinoline
PubChem CID159770483
Molecular FormulaC31H29N3
Molecular Weight443.59 g/mol
Exact Mass443.24
IUPAC Name2-benzylquinoxaline;(2R)-2-benzyl-1,2,3,4-tetrahydroquinoline
SMILESc1ccc(C[C@H]2CCc3ccccc3N2)cc1.c1ccc(Cc2cnc3ccccc3n2)cc1
InChIInChI=1S/C16H17N.C15H12N2/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)17-15;1-2-6-12(7-3-1)10-13-11-16-14-8-4-5-9-15(14)17-13/h1-9,15,17H,10-12H2;1-9,11H,10H2/t15-;/m1./s1
InChIKeyNGAWRFBISSZIFW-XFULWGLBSA-N
XLogP6.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-benzylquinoxaline;(2R)-2-benzyl-1,2,3,4-tetrahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-benzylquinoxaline;(2R)-2-benzyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-benzylquinoxaline;(2R)-2-benzyl-1,2,3,4-tetrahydroquinoline (CID 159770483) is 2-benzylquinoxaline;(2R)-2-benzyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-benzylquinoxaline;(2R)-2-benzyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-benzylquinoxaline;(2R)-2-benzyl-1,2,3,4-tetrahydroquinoline is c1ccc(C[C@H]2CCc3ccccc3N2)cc1.c1ccc(Cc2cnc3ccccc3n2)cc1.
What is the InChIKey of 2-benzylquinoxaline;(2R)-2-benzyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is NGAWRFBISSZIFW-XFULWGLBSA-N. The full InChI is InChI=1S/C16H17N.C15H12N2/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)17-15;1-2-6-12(7-3-1)10-13-11-16-14-8-4-5-9-15(14)17-13/h1-9,15,17H,10-12H2;1-9,11H,10H2/t15-;/m1./s1.
What are the key properties of 2-benzylquinoxaline;(2R)-2-benzyl-1,2,3,4-tetrahydroquinoline?
2-benzylquinoxaline;(2R)-2-benzyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 443.59 g/mol, XLogP of 6.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylquinoxaline;(2R)-2-benzyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 159770483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).