1-methyl-6-[3-[[2-(2-pyridin-2-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one

C26H28N4O2 — CID 70657015

IUPAC1-methyl-6-[3-[[2-(2-pyridin-2-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one
SMILESCn1c(=O)ccc2cc(OCCCNCc3ccnc(CCc4ccccn4)c3)ccc21
InChIInChI=1S/C26H28N4O2/c1-30-25-10-9-24(18-21(25)6-11-26(30)31)32-16-4-13-27-19-20-12-15-29-23(17-20)8-7-22-5-2-3-14-28-22/h2-3,5-6,9-12,14-15,17-18,27H,4,7-8,13,16,19H2,1H3
InChIKeyVLSKDEFEJASUDC-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.67
Rot. Bonds10

About 1-methyl-6-[3-[[2-(2-pyridin-2-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one

1-methyl-6-[3-[[2-(2-pyridin-2-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one (PubChem CID 70657015) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-methyl-6-[3-[[2-(2-pyridin-2-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[3-[[2-(2-pyridin-2-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one
PubChem CID70657015
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name1-methyl-6-[3-[[2-(2-pyridin-2-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one
SMILESCn1c(=O)ccc2cc(OCCCNCc3ccnc(CCc4ccccn4)c3)ccc21
InChIInChI=1S/C26H28N4O2/c1-30-25-10-9-24(18-21(25)6-11-26(30)31)32-16-4-13-27-19-20-12-15-29-23(17-20)8-7-22-5-2-3-14-28-22/h2-3,5-6,9-12,14-15,17-18,27H,4,7-8,13,16,19H2,1H3
InChIKeyVLSKDEFEJASUDC-UHFFFAOYSA-N
XLogP3.67
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-methyl-6-[3-[[2-(2-pyridin-2-ylethyl)-4-pyridinyl]methylamino]propoxy]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 1-methyl-6-[3-[[2-(2-pyridin-2-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one?
The IUPAC name of 1-methyl-6-[3-[[2-(2-pyridin-2-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one (CID 70657015) is 1-methyl-6-[3-[[2-(2-pyridin-2-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one.
What is the SMILES notation for 1-methyl-6-[3-[[2-(2-pyridin-2-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one?
The canonical SMILES for 1-methyl-6-[3-[[2-(2-pyridin-2-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one is Cn1c(=O)ccc2cc(OCCCNCc3ccnc(CCc4ccccn4)c3)ccc21.
What is the InChIKey of 1-methyl-6-[3-[[2-(2-pyridin-2-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one?
The InChIKey is VLSKDEFEJASUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-30-25-10-9-24(18-21(25)6-11-26(30)31)32-16-4-13-27-19-20-12-15-29-23(17-20)8-7-22-5-2-3-14-28-22/h2-3,5-6,9-12,14-15,17-18,27H,4,7-8,13,16,19H2,1H3.
What are the key properties of 1-methyl-6-[3-[[2-(2-pyridin-2-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one?
1-methyl-6-[3-[[2-(2-pyridin-2-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one has a molecular weight of 428.54 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[3-[[2-(2-pyridin-2-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one is sourced from PubChem (CID 70657015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).