3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one

C26H25N5O — CID 77106932

IUPAC3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(CC2CCNCC2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21
InChIInChI=1S/C26H25N5O/c1-30-24-15-29-23-7-6-18(20-12-19-4-2-3-5-22(19)28-14-20)13-21(23)25(24)31(26(30)32)16-17-8-10-27-11-9-17/h2-7,12-15,17,27H,8-11,16H2,1H3
InChIKeyVPIBQRBFNRTENW-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.10
Rot. Bonds3

About 3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one

3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one (PubChem CID 77106932) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is 3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
PubChem CID77106932
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC Name3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(CC2CCNCC2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21
InChIInChI=1S/C26H25N5O/c1-30-24-15-29-23-7-6-18(20-12-19-4-2-3-5-22(19)28-14-20)13-21(23)25(24)31(26(30)32)16-17-8-10-27-11-9-17/h2-7,12-15,17,27H,8-11,16H2,1H3
InChIKeyVPIBQRBFNRTENW-UHFFFAOYSA-N
XLogP4.10
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one 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 3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one (CID 77106932) is 3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one is Cn1c(=O)n(CC2CCNCC2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21.
What is the InChIKey of 3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one?
The InChIKey is VPIBQRBFNRTENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c1-30-24-15-29-23-7-6-18(20-12-19-4-2-3-5-22(19)28-14-20)13-21(23)25(24)31(26(30)32)16-17-8-10-27-11-9-17/h2-7,12-15,17,27H,8-11,16H2,1H3.
What are the key properties of 3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one?
3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one has a molecular weight of 423.52 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 77106932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).