2-[2-(4-methylphenyl)-3-quinolin-2-ylpropyl]quinoline

C28H24N2 — CID 132563536

IUPAC2-[2-(4-methylphenyl)-3-quinolin-2-ylpropyl]quinoline
SMILESCc1ccc(C(Cc2ccc3ccccc3n2)Cc2ccc3ccccc3n2)cc1
InChIInChI=1S/C28H24N2/c1-20-10-12-21(13-11-20)24(18-25-16-14-22-6-2-4-8-27(22)29-25)19-26-17-15-23-7-3-5-9-28(23)30-26/h2-17,24H,18-19H2,1H3
InChIKeyHCBIRMLDYUESIU-UHFFFAOYSA-N
MW388.51 g/mol
LogP6.66
Rot. Bonds5

About 2-[2-(4-methylphenyl)-3-quinolin-2-ylpropyl]quinoline

2-[2-(4-methylphenyl)-3-quinolin-2-ylpropyl]quinoline (PubChem CID 132563536) has the molecular formula C28H24N2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)-3-quinolin-2-ylpropyl]quinoline.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)-3-quinolin-2-ylpropyl]quinoline
PubChem CID132563536
Molecular FormulaC28H24N2
Molecular Weight388.51 g/mol
Exact Mass388.19
IUPAC Name2-[2-(4-methylphenyl)-3-quinolin-2-ylpropyl]quinoline
SMILESCc1ccc(C(Cc2ccc3ccccc3n2)Cc2ccc3ccccc3n2)cc1
InChIInChI=1S/C28H24N2/c1-20-10-12-21(13-11-20)24(18-25-16-14-22-6-2-4-8-27(22)29-25)19-26-17-15-23-7-3-5-9-28(23)30-26/h2-17,24H,18-19H2,1H3
InChIKeyHCBIRMLDYUESIU-UHFFFAOYSA-N
XLogP6.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-bromo-2-(4-methylphenyl)ethyl]quinoline
CID 66459842
2-[(2R)-4-methyl-2-phenylpentyl]quinoline
CID 153438470
2-[2-bromo-2-(3,5-dimethylphenyl)ethyl]quinoline
CID 66461439
2-(3-nitro-2-phenylpropyl)quinoline
CID 102447454
7-methyl-2-(quinolin-2-ylmethyl)quinoline
CID 146200056
4-methyl-N-(1-quinolin-2-ylpropan-2-yl)benzenesulfonamide
CID 129271456
2-[2-(4-chlorophenyl)-3-nitropropyl]quinoline
CID 102447455
(1R)-1-phenyl-2-quinolin-2-ylethanol
CID 92849987
1-(4-methoxyphenyl)-2-quinolin-2-ylethanamine
CID 43118775
2-[2-(3-nitrophenyl)-3-quinolin-2-ylpropyl]quinoline
CID 102496265
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
2-[2-chloro-2-(4-methylsulfanylphenyl)ethyl]quinoline
CID 79212762

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)-3-quinolin-2-ylpropyl]quinoline?
The IUPAC name of 2-[2-(4-methylphenyl)-3-quinolin-2-ylpropyl]quinoline (CID 132563536) is 2-[2-(4-methylphenyl)-3-quinolin-2-ylpropyl]quinoline.
What is the SMILES notation for 2-[2-(4-methylphenyl)-3-quinolin-2-ylpropyl]quinoline?
The canonical SMILES for 2-[2-(4-methylphenyl)-3-quinolin-2-ylpropyl]quinoline is Cc1ccc(C(Cc2ccc3ccccc3n2)Cc2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)-3-quinolin-2-ylpropyl]quinoline?
The InChIKey is HCBIRMLDYUESIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2/c1-20-10-12-21(13-11-20)24(18-25-16-14-22-6-2-4-8-27(22)29-25)19-26-17-15-23-7-3-5-9-28(23)30-26/h2-17,24H,18-19H2,1H3.
What are the key properties of 2-[2-(4-methylphenyl)-3-quinolin-2-ylpropyl]quinoline?
2-[2-(4-methylphenyl)-3-quinolin-2-ylpropyl]quinoline has a molecular weight of 388.51 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)-3-quinolin-2-ylpropyl]quinoline is sourced from PubChem (CID 132563536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).