1-benzyl-2,2,4-trimethylquinoline

C19H21N — CID 1381632

IUPAC1-benzyl-2,2,4-trimethylquinoline
SMILESCC1=CC(C)(C)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C19H21N/c1-15-13-19(2,3)20(14-16-9-5-4-6-10-16)18-12-8-7-11-17(15)18/h4-13H,14H2,1-3H3
InChIKeyNRTFNXZCLXJPHL-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.89
Rot. Bonds2

About 1-benzyl-2,2,4-trimethylquinoline

1-benzyl-2,2,4-trimethylquinoline (PubChem CID 1381632) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-benzyl-2,2,4-trimethylquinoline.

Molecular Properties

Compound Name1-benzyl-2,2,4-trimethylquinoline
PubChem CID1381632
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name1-benzyl-2,2,4-trimethylquinoline
SMILESCC1=CC(C)(C)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C19H21N/c1-15-13-19(2,3)20(14-16-9-5-4-6-10-16)18-12-8-7-11-17(15)18/h4-13H,14H2,1-3H3
InChIKeyNRTFNXZCLXJPHL-UHFFFAOYSA-N
XLogP4.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,2,4-trimethylquinoline?
The IUPAC name of 1-benzyl-2,2,4-trimethylquinoline (CID 1381632) is 1-benzyl-2,2,4-trimethylquinoline.
What is the SMILES notation for 1-benzyl-2,2,4-trimethylquinoline?
The canonical SMILES for 1-benzyl-2,2,4-trimethylquinoline is CC1=CC(C)(C)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1-benzyl-2,2,4-trimethylquinoline?
The InChIKey is NRTFNXZCLXJPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-15-13-19(2,3)20(14-16-9-5-4-6-10-16)18-12-8-7-11-17(15)18/h4-13H,14H2,1-3H3.
What are the key properties of 1-benzyl-2,2,4-trimethylquinoline?
1-benzyl-2,2,4-trimethylquinoline has a molecular weight of 263.38 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,2,4-trimethylquinoline is sourced from PubChem (CID 1381632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).