2-(3,5-dimethylphenyl)-3-propan-2-ylquinoline

C20H21N — CID 175477212

IUPAC2-(3,5-dimethylphenyl)-3-propan-2-ylquinoline
SMILESCc1cc(C)cc(-c2nc3ccccc3cc2C(C)C)c1
InChIInChI=1S/C20H21N/c1-13(2)18-12-16-7-5-6-8-19(16)21-20(18)17-10-14(3)9-15(4)11-17/h5-13H,1-4H3
InChIKeyICYWBUZMSPDTIW-UHFFFAOYSA-N
MW275.40 g/mol
LogP5.64
Rot. Bonds2

About 2-(3,5-dimethylphenyl)-3-propan-2-ylquinoline

2-(3,5-dimethylphenyl)-3-propan-2-ylquinoline (PubChem CID 175477212) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-3-propan-2-ylquinoline.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-3-propan-2-ylquinoline
PubChem CID175477212
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC Name2-(3,5-dimethylphenyl)-3-propan-2-ylquinoline
SMILESCc1cc(C)cc(-c2nc3ccccc3cc2C(C)C)c1
InChIInChI=1S/C20H21N/c1-13(2)18-12-16-7-5-6-8-19(16)21-20(18)17-10-14(3)9-15(4)11-17/h5-13H,1-4H3
InChIKeyICYWBUZMSPDTIW-UHFFFAOYSA-N
XLogP5.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.40
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-3-propan-2-ylquinoline?
The IUPAC name of 2-(3,5-dimethylphenyl)-3-propan-2-ylquinoline (CID 175477212) is 2-(3,5-dimethylphenyl)-3-propan-2-ylquinoline.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-3-propan-2-ylquinoline?
The canonical SMILES for 2-(3,5-dimethylphenyl)-3-propan-2-ylquinoline is Cc1cc(C)cc(-c2nc3ccccc3cc2C(C)C)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-3-propan-2-ylquinoline?
The InChIKey is ICYWBUZMSPDTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-13(2)18-12-16-7-5-6-8-19(16)21-20(18)17-10-14(3)9-15(4)11-17/h5-13H,1-4H3.
What are the key properties of 2-(3,5-dimethylphenyl)-3-propan-2-ylquinoline?
2-(3,5-dimethylphenyl)-3-propan-2-ylquinoline has a molecular weight of 275.40 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-3-propan-2-ylquinoline is sourced from PubChem (CID 175477212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).