1-methyl-4-[3-[(3-pyridin-3-yl-1-pyridin-4-ylpropyl)amino]propoxy]quinolin-2-one

C26H28N4O2 — CID 70656661

IUPAC1-methyl-4-[3-[(3-pyridin-3-yl-1-pyridin-4-ylpropyl)amino]propoxy]quinolin-2-one
SMILESCn1c(=O)cc(OCCCNC(CCc2cccnc2)c2ccncc2)c2ccccc21
InChIInChI=1S/C26H28N4O2/c1-30-24-8-3-2-7-22(24)25(18-26(30)31)32-17-5-14-29-23(21-11-15-27-16-12-21)10-9-20-6-4-13-28-19-20/h2-4,6-8,11-13,15-16,18-19,23,29H,5,9-10,14,17H2,1H3
InChIKeyKAAABGACJBWUFD-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.06
Rot. Bonds10

About 1-methyl-4-[3-[(3-pyridin-3-yl-1-pyridin-4-ylpropyl)amino]propoxy]quinolin-2-one

1-methyl-4-[3-[(3-pyridin-3-yl-1-pyridin-4-ylpropyl)amino]propoxy]quinolin-2-one (PubChem CID 70656661) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-methyl-4-[3-[(3-pyridin-3-yl-1-pyridin-4-ylpropyl)amino]propoxy]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-[3-[(3-pyridin-3-yl-1-pyridin-4-ylpropyl)amino]propoxy]quinolin-2-one
PubChem CID70656661
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name1-methyl-4-[3-[(3-pyridin-3-yl-1-pyridin-4-ylpropyl)amino]propoxy]quinolin-2-one
SMILESCn1c(=O)cc(OCCCNC(CCc2cccnc2)c2ccncc2)c2ccccc21
InChIInChI=1S/C26H28N4O2/c1-30-24-8-3-2-7-22(24)25(18-26(30)31)32-17-5-14-29-23(21-11-15-27-16-12-21)10-9-20-6-4-13-28-19-20/h2-4,6-8,11-13,15-16,18-19,23,29H,5,9-10,14,17H2,1H3
InChIKeyKAAABGACJBWUFD-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-methyl-4-[3-[(3-pyridin-3-yl-1-pyridin-4-ylpropyl)amino]propoxy]quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-4-[3-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]propoxy]quinolin-2-one
CID 70656664
1-ethyl-6-[3-[(3-pyridin-3-yl-1-pyridin-4-ylpropyl)amino]propoxy]quinolin-2-one
CID 70656482
1,5-diethyl-3,3-dimethyl-7-[3-[(3-pyridin-3-yl-1-pyridin-4-ylpropyl)amino]propoxy]-1,5-benzodiazepine-2,4-dione;trihydrochloride
CID 68674734
1-methyl-5-[3-[[2-(2-pyridin-3-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one
CID 70656268
N-ethyl-1-(3-ethylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105171233
1-(4-methylphenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine
CID 105092564
1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine
CID 104737019
N-ethyl-1-(4-propylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105144433
1-ethyl-3,3,5-trimethyl-7-[3-[[3-(2-oxoquinolin-1-yl)-1-pyridin-4-ylpropyl]amino]propoxy]-1,5-benzodiazepine-2,4-dione;dihydrochloride
CID 68675131
2-methoxy-1-phenyl-N-(2-pyridin-3-ylethyl)ethanamine
CID 103913604
1-ethyl-3,3,5-trimethyl-7-[3-[[3-(2-oxoquinolin-1-yl)-1-pyridin-3-ylpropyl]amino]propoxy]-1,5-benzodiazepine-2,4-dione
CID 68673573
1-(3,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 105142109

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[(3-pyridin-3-yl-1-pyridin-4-ylpropyl)amino]propoxy]quinolin-2-one?
The IUPAC name of 1-methyl-4-[3-[(3-pyridin-3-yl-1-pyridin-4-ylpropyl)amino]propoxy]quinolin-2-one (CID 70656661) is 1-methyl-4-[3-[(3-pyridin-3-yl-1-pyridin-4-ylpropyl)amino]propoxy]quinolin-2-one.
What is the SMILES notation for 1-methyl-4-[3-[(3-pyridin-3-yl-1-pyridin-4-ylpropyl)amino]propoxy]quinolin-2-one?
The canonical SMILES for 1-methyl-4-[3-[(3-pyridin-3-yl-1-pyridin-4-ylpropyl)amino]propoxy]quinolin-2-one is Cn1c(=O)cc(OCCCNC(CCc2cccnc2)c2ccncc2)c2ccccc21.
What is the InChIKey of 1-methyl-4-[3-[(3-pyridin-3-yl-1-pyridin-4-ylpropyl)amino]propoxy]quinolin-2-one?
The InChIKey is KAAABGACJBWUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-30-24-8-3-2-7-22(24)25(18-26(30)31)32-17-5-14-29-23(21-11-15-27-16-12-21)10-9-20-6-4-13-28-19-20/h2-4,6-8,11-13,15-16,18-19,23,29H,5,9-10,14,17H2,1H3.
What are the key properties of 1-methyl-4-[3-[(3-pyridin-3-yl-1-pyridin-4-ylpropyl)amino]propoxy]quinolin-2-one?
1-methyl-4-[3-[(3-pyridin-3-yl-1-pyridin-4-ylpropyl)amino]propoxy]quinolin-2-one has a molecular weight of 428.54 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[(3-pyridin-3-yl-1-pyridin-4-ylpropyl)amino]propoxy]quinolin-2-one is sourced from PubChem (CID 70656661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).