6,8-dibenzyl-1,2,3,4-tetrahydroquinoline

C23H23N — CID 142306850

IUPAC6,8-dibenzyl-1,2,3,4-tetrahydroquinoline
SMILESc1ccc(Cc2cc3c(c(Cc4ccccc4)c2)NCCC3)cc1
InChIInChI=1S/C23H23N/c1-3-8-18(9-4-1)14-20-16-21-12-7-13-24-23(21)22(17-20)15-19-10-5-2-6-11-19/h1-6,8-11,16-17,24H,7,12-15H2
InChIKeyVDJTUJOIODQQKC-UHFFFAOYSA-N
MW313.44 g/mol
LogP5.23
Rot. Bonds4

About 6,8-dibenzyl-1,2,3,4-tetrahydroquinoline

6,8-dibenzyl-1,2,3,4-tetrahydroquinoline (PubChem CID 142306850) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is 6,8-dibenzyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6,8-dibenzyl-1,2,3,4-tetrahydroquinoline
PubChem CID142306850
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC Name6,8-dibenzyl-1,2,3,4-tetrahydroquinoline
SMILESc1ccc(Cc2cc3c(c(Cc4ccccc4)c2)NCCC3)cc1
InChIInChI=1S/C23H23N/c1-3-8-18(9-4-1)14-20-16-21-12-7-13-24-23(21)22(17-20)15-19-10-5-2-6-11-19/h1-6,8-11,16-17,24H,7,12-15H2
InChIKeyVDJTUJOIODQQKC-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6,8-dibenzyl-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

Related Compounds

6-benzyl-8-propyl-1,2,3,4-tetrahydroquinoline
CID 142306886
6-benzyl-N-phenyl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 142306764
8-[(3,5-difluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63968465
8-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114522671
8-[[3-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline
CID 63970552
8-(chrysen-3-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 174468516
N-benzyl-2-(1,2,3,4-tetrahydroquinolin-8-yl)ethanamine
CID 125424059
5-benzyl-2,3-dihydro-1H-indole
CID 19042869
5-benzyl-2,3-dihydro-1H-indene
CID 142307005
6-benzyl-8-tert-butyl-1,2,3,4-tetrahydroquinoline;3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 142306829
8-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 64989812
8-(cyclopropylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106779417

Frequently Asked Questions

What is the IUPAC name of 6,8-dibenzyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6,8-dibenzyl-1,2,3,4-tetrahydroquinoline (CID 142306850) is 6,8-dibenzyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6,8-dibenzyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6,8-dibenzyl-1,2,3,4-tetrahydroquinoline is c1ccc(Cc2cc3c(c(Cc4ccccc4)c2)NCCC3)cc1.
What is the InChIKey of 6,8-dibenzyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is VDJTUJOIODQQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N/c1-3-8-18(9-4-1)14-20-16-21-12-7-13-24-23(21)22(17-20)15-19-10-5-2-6-11-19/h1-6,8-11,16-17,24H,7,12-15H2.
What are the key properties of 6,8-dibenzyl-1,2,3,4-tetrahydroquinoline?
6,8-dibenzyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 313.44 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibenzyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 142306850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).