3-cyclohexyl-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline

C22H27N — CID 150541451

IUPAC3-cyclohexyl-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline
SMILESCN1CC(C2CCCCC2)C(c2ccccc2)c2ccccc21
InChIInChI=1S/C22H27N/c1-23-16-20(17-10-4-2-5-11-17)22(18-12-6-3-7-13-18)19-14-8-9-15-21(19)23/h3,6-9,12-15,17,20,22H,2,4-5,10-11,16H2,1H3
InChIKeyIFYOULIUIDXZEB-UHFFFAOYSA-N
MW305.47 g/mol
LogP5.46
Rot. Bonds2

About 3-cyclohexyl-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline

3-cyclohexyl-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline (PubChem CID 150541451) has the molecular formula C22H27N and a molecular weight of 305.47 g/mol. Its IUPAC name is 3-cyclohexyl-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name3-cyclohexyl-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline
PubChem CID150541451
Molecular FormulaC22H27N
Molecular Weight305.47 g/mol
Exact Mass305.21
IUPAC Name3-cyclohexyl-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline
SMILESCN1CC(C2CCCCC2)C(c2ccccc2)c2ccccc21
InChIInChI=1S/C22H27N/c1-23-16-20(17-10-4-2-5-11-17)22(18-12-6-3-7-13-18)19-14-8-9-15-21(19)23/h3,6-9,12-15,17,20,22H,2,4-5,10-11,16H2,1H3
InChIKeyIFYOULIUIDXZEB-UHFFFAOYSA-N
XLogP5.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.47
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 3-cyclohexyl-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline (CID 150541451) is 3-cyclohexyl-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 3-cyclohexyl-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 3-cyclohexyl-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline is CN1CC(C2CCCCC2)C(c2ccccc2)c2ccccc21.
What is the InChIKey of 3-cyclohexyl-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline?
The InChIKey is IFYOULIUIDXZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N/c1-23-16-20(17-10-4-2-5-11-17)22(18-12-6-3-7-13-18)19-14-8-9-15-21(19)23/h3,6-9,12-15,17,20,22H,2,4-5,10-11,16H2,1H3.
What are the key properties of 3-cyclohexyl-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline?
3-cyclohexyl-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline has a molecular weight of 305.47 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 150541451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).