2-methyl-5-[2-[4-[(3-phenylphenyl)methyl]piperidin-1-yl]ethoxy]quinoline

C30H32N2O — CID 10216744

IUPAC2-methyl-5-[2-[4-[(3-phenylphenyl)methyl]piperidin-1-yl]ethoxy]quinoline
SMILESCc1ccc2c(OCCN3CCC(Cc4cccc(-c5ccccc5)c4)CC3)cccc2n1
InChIInChI=1S/C30H32N2O/c1-23-13-14-28-29(31-23)11-6-12-30(28)33-20-19-32-17-15-24(16-18-32)21-25-7-5-10-27(22-25)26-8-3-2-4-9-26/h2-14,22,24H,15-21H2,1H3
InChIKeyVGRLMXIRSMLELB-UHFFFAOYSA-N
MW436.60 g/mol
LogP6.54
Rot. Bonds7

About 2-methyl-5-[2-[4-[(3-phenylphenyl)methyl]piperidin-1-yl]ethoxy]quinoline

2-methyl-5-[2-[4-[(3-phenylphenyl)methyl]piperidin-1-yl]ethoxy]quinoline (PubChem CID 10216744) has the molecular formula C30H32N2O and a molecular weight of 436.60 g/mol. Its IUPAC name is 2-methyl-5-[2-[4-[(3-phenylphenyl)methyl]piperidin-1-yl]ethoxy]quinoline.

Molecular Properties

Compound Name2-methyl-5-[2-[4-[(3-phenylphenyl)methyl]piperidin-1-yl]ethoxy]quinoline
PubChem CID10216744
Molecular FormulaC30H32N2O
Molecular Weight436.60 g/mol
Exact Mass436.25
IUPAC Name2-methyl-5-[2-[4-[(3-phenylphenyl)methyl]piperidin-1-yl]ethoxy]quinoline
SMILESCc1ccc2c(OCCN3CCC(Cc4cccc(-c5ccccc5)c4)CC3)cccc2n1
InChIInChI=1S/C30H32N2O/c1-23-13-14-28-29(31-23)11-6-12-30(28)33-20-19-32-17-15-24(16-18-32)21-25-7-5-10-27(22-25)26-8-3-2-4-9-26/h2-14,22,24H,15-21H2,1H3
InChIKeyVGRLMXIRSMLELB-UHFFFAOYSA-N
XLogP6.54
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[4-[(3-phenylphenyl)methyl]piperidin-1-yl]ethoxy]quinoline?
The IUPAC name of 2-methyl-5-[2-[4-[(3-phenylphenyl)methyl]piperidin-1-yl]ethoxy]quinoline (CID 10216744) is 2-methyl-5-[2-[4-[(3-phenylphenyl)methyl]piperidin-1-yl]ethoxy]quinoline.
What is the SMILES notation for 2-methyl-5-[2-[4-[(3-phenylphenyl)methyl]piperidin-1-yl]ethoxy]quinoline?
The canonical SMILES for 2-methyl-5-[2-[4-[(3-phenylphenyl)methyl]piperidin-1-yl]ethoxy]quinoline is Cc1ccc2c(OCCN3CCC(Cc4cccc(-c5ccccc5)c4)CC3)cccc2n1.
What is the InChIKey of 2-methyl-5-[2-[4-[(3-phenylphenyl)methyl]piperidin-1-yl]ethoxy]quinoline?
The InChIKey is VGRLMXIRSMLELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O/c1-23-13-14-28-29(31-23)11-6-12-30(28)33-20-19-32-17-15-24(16-18-32)21-25-7-5-10-27(22-25)26-8-3-2-4-9-26/h2-14,22,24H,15-21H2,1H3.
What are the key properties of 2-methyl-5-[2-[4-[(3-phenylphenyl)methyl]piperidin-1-yl]ethoxy]quinoline?
2-methyl-5-[2-[4-[(3-phenylphenyl)methyl]piperidin-1-yl]ethoxy]quinoline has a molecular weight of 436.60 g/mol, XLogP of 6.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[4-[(3-phenylphenyl)methyl]piperidin-1-yl]ethoxy]quinoline is sourced from PubChem (CID 10216744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).