1,4-dibenzyl-3,4-dihydro-2H-quinoline

C23H23N — CID 3249530

IUPAC1,4-dibenzyl-3,4-dihydro-2H-quinoline
SMILESc1ccc(CC2CCN(Cc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C23H23N/c1-3-9-19(10-4-1)17-21-15-16-24(18-20-11-5-2-6-12-20)23-14-8-7-13-22(21)23/h1-14,21H,15-18H2
InChIKeyJGICXBDYTIKLCN-UHFFFAOYSA-N
MW313.44 g/mol
LogP5.42
Rot. Bonds4

About 1,4-dibenzyl-3,4-dihydro-2H-quinoline

1,4-dibenzyl-3,4-dihydro-2H-quinoline (PubChem CID 3249530) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is 1,4-dibenzyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1,4-dibenzyl-3,4-dihydro-2H-quinoline
PubChem CID3249530
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC Name1,4-dibenzyl-3,4-dihydro-2H-quinoline
SMILESc1ccc(CC2CCN(Cc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C23H23N/c1-3-9-19(10-4-1)17-21-15-16-24(18-20-11-5-2-6-12-20)23-14-8-7-13-22(21)23/h1-14,21H,15-18H2
InChIKeyJGICXBDYTIKLCN-UHFFFAOYSA-N
XLogP5.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3,4-dihydro-2H-quinolin-4-ol
CID 114337756
1-benzyl-4-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline
CID 4207738
1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 59741196
1,4-diethyl-3,4-dihydro-2H-quinoline
CID 90169118
1-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336111
2-[1-[[4-(hydroxymethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]acetic acid
CID 166178722
(1S)-1-benzyl-2,3-dihydro-1H-indene
CID 134957742
(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028
3-amino-1-benzylpyrrolidin-2-one
CID 47002372
1,4-dibenzylpiperidin-2-one
CID 57246894
3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 59741125
3-benzyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-one
CID 18464420

Frequently Asked Questions

What is the IUPAC name of 1,4-dibenzyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1,4-dibenzyl-3,4-dihydro-2H-quinoline (CID 3249530) is 1,4-dibenzyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1,4-dibenzyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1,4-dibenzyl-3,4-dihydro-2H-quinoline is c1ccc(CC2CCN(Cc3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 1,4-dibenzyl-3,4-dihydro-2H-quinoline?
The InChIKey is JGICXBDYTIKLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N/c1-3-9-19(10-4-1)17-21-15-16-24(18-20-11-5-2-6-12-20)23-14-8-7-13-22(21)23/h1-14,21H,15-18H2.
What are the key properties of 1,4-dibenzyl-3,4-dihydro-2H-quinoline?
1,4-dibenzyl-3,4-dihydro-2H-quinoline has a molecular weight of 313.44 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibenzyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 3249530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).