2-methyl-5-[2-[4-[(3-pyridin-3-ylphenyl)methylidene]piperidin-1-yl]ethoxy]quinoline

C29H29N3O — CID 10238233

IUPAC2-methyl-5-[2-[4-[(3-pyridin-3-ylphenyl)methylidene]piperidin-1-yl]ethoxy]quinoline
SMILESCc1ccc2c(OCCN3CCC(=Cc4cccc(-c5cccnc5)c4)CC3)cccc2n1
InChIInChI=1S/C29H29N3O/c1-22-10-11-27-28(31-22)8-3-9-29(27)33-18-17-32-15-12-23(13-16-32)19-24-5-2-6-25(20-24)26-7-4-14-30-21-26/h2-11,14,19-21H,12-13,15-18H2,1H3
InChIKeySPGYHKALLQTXBO-UHFFFAOYSA-N
MW435.57 g/mol
LogP6.16
Rot. Bonds6

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

2-methyl-5-[2-[4-[(3-pyridin-3-ylphenyl)methylidene]piperidin-1-yl]ethoxy]quinoline (PubChem CID 10238233) has the molecular formula C29H29N3O and a molecular weight of 435.57 g/mol. Its IUPAC name is 2-methyl-5-[2-[4-[(3-pyridin-3-ylphenyl)methylidene]piperidin-1-yl]ethoxy]quinoline.

Molecular Properties

Compound Name2-methyl-5-[2-[4-[(3-pyridin-3-ylphenyl)methylidene]piperidin-1-yl]ethoxy]quinoline
PubChem CID10238233
Molecular FormulaC29H29N3O
Molecular Weight435.57 g/mol
Exact Mass435.23
IUPAC Name2-methyl-5-[2-[4-[(3-pyridin-3-ylphenyl)methylidene]piperidin-1-yl]ethoxy]quinoline
SMILESCc1ccc2c(OCCN3CCC(=Cc4cccc(-c5cccnc5)c4)CC3)cccc2n1
InChIInChI=1S/C29H29N3O/c1-22-10-11-27-28(31-22)8-3-9-29(27)33-18-17-32-15-12-23(13-16-32)19-24-5-2-6-25(20-24)26-7-4-14-30-21-26/h2-11,14,19-21H,12-13,15-18H2,1H3
InChIKeySPGYHKALLQTXBO-UHFFFAOYSA-N
XLogP6.16
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-[2-[4-[(3-pyridin-3-ylphenyl)methylidene]piperidin-1-yl]ethoxy]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[4-[(3-pyridin-3-ylphenyl)methylidene]piperidin-1-yl]ethoxy]quinoline?
The IUPAC name of 2-methyl-5-[2-[4-[(3-pyridin-3-ylphenyl)methylidene]piperidin-1-yl]ethoxy]quinoline (CID 10238233) is 2-methyl-5-[2-[4-[(3-pyridin-3-ylphenyl)methylidene]piperidin-1-yl]ethoxy]quinoline.
What is the SMILES notation for 2-methyl-5-[2-[4-[(3-pyridin-3-ylphenyl)methylidene]piperidin-1-yl]ethoxy]quinoline?
The canonical SMILES for 2-methyl-5-[2-[4-[(3-pyridin-3-ylphenyl)methylidene]piperidin-1-yl]ethoxy]quinoline is Cc1ccc2c(OCCN3CCC(=Cc4cccc(-c5cccnc5)c4)CC3)cccc2n1.
What is the InChIKey of 2-methyl-5-[2-[4-[(3-pyridin-3-ylphenyl)methylidene]piperidin-1-yl]ethoxy]quinoline?
The InChIKey is SPGYHKALLQTXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O/c1-22-10-11-27-28(31-22)8-3-9-29(27)33-18-17-32-15-12-23(13-16-32)19-24-5-2-6-25(20-24)26-7-4-14-30-21-26/h2-11,14,19-21H,12-13,15-18H2,1H3.
What are the key properties of 2-methyl-5-[2-[4-[(3-pyridin-3-ylphenyl)methylidene]piperidin-1-yl]ethoxy]quinoline?
2-methyl-5-[2-[4-[(3-pyridin-3-ylphenyl)methylidene]piperidin-1-yl]ethoxy]quinoline has a molecular weight of 435.57 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[4-[(3-pyridin-3-ylphenyl)methylidene]piperidin-1-yl]ethoxy]quinoline is sourced from PubChem (CID 10238233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).