1-methyl-6-[4-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]butoxy]quinolin-2-one

C26H28N4O2 — CID 66960537

IUPAC1-methyl-6-[4-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]butoxy]quinolin-2-one
SMILESCn1c(=O)ccc2cc(OCCCCN(Cc3ccncc3)Cc3cccnc3)ccc21
InChIInChI=1S/C26H28N4O2/c1-29-25-8-7-24(17-23(25)6-9-26(29)31)32-16-3-2-15-30(19-21-10-13-27-14-11-21)20-22-5-4-12-28-18-22/h4-14,17-18H,2-3,15-16,19-20H2,1H3
InChIKeyKRSKUBVBMZQHNQ-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.19
Rot. Bonds10

About 1-methyl-6-[4-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]butoxy]quinolin-2-one

1-methyl-6-[4-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]butoxy]quinolin-2-one (PubChem CID 66960537) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-methyl-6-[4-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]butoxy]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[4-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]butoxy]quinolin-2-one
PubChem CID66960537
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name1-methyl-6-[4-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]butoxy]quinolin-2-one
SMILESCn1c(=O)ccc2cc(OCCCCN(Cc3ccncc3)Cc3cccnc3)ccc21
InChIInChI=1S/C26H28N4O2/c1-29-25-8-7-24(17-23(25)6-9-26(29)31)32-16-3-2-15-30(19-21-10-13-27-14-11-21)20-22-5-4-12-28-18-22/h4-14,17-18H,2-3,15-16,19-20H2,1H3
InChIKeyKRSKUBVBMZQHNQ-UHFFFAOYSA-N
XLogP4.19
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-methyl-6-[4-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]butoxy]quinolin-2-one with MolForge

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Related Compounds

1-methyl-6-[3-[2-pyridin-4-ylethyl(pyridin-3-ylmethyl)amino]propoxy]quinolin-2-one;trihydrochloride
CID 140651680
1-methyl-6-[2-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]ethoxy]quinolin-2-one;trihydrochloride
CID 66960035
1-methyl-7-[3-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]propoxy]quinolin-2-one;trihydrochloride
CID 70657147
1-methyl-6-[2-[2-pyridin-3-ylethyl(pyridin-3-ylmethyl)amino]ethoxy]quinolin-2-one;trihydrochloride
CID 66960064
1-methyl-6-[5-[naphthalen-2-ylmethyl(2-pyridin-3-ylethyl)amino]pentoxy]quinolin-2-one
CID 90229730
1-methyl-6-[3-[2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethyl-(pyridin-4-ylmethyl)amino]propoxy]quinolin-2-one
CID 66959961
1-methyl-6-[2-[pyridin-4-ylmethyl-[(E)-3-pyridin-3-ylprop-2-enyl]amino]ethoxy]quinolin-2-one;trihydrochloride
CID 66960620
N-[3-(1-methyl-2-oxoquinolin-6-yl)oxypropyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 90230068
N-methyl-N-[2-[3-(1-methyl-2-oxoquinolin-6-yl)oxypropyl-(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 50992011
1-methyl-6-[5-[2-pyridin-3-ylethyl(quinolin-4-ylmethyl)amino]pentoxy]quinolin-2-one
CID 140651697
1-methyl-6-[5-(2-pyridin-3-ylethylamino)pentoxy]quinolin-2-one;dihydrochloride
CID 66960568
N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 90229570

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[4-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]butoxy]quinolin-2-one?
The IUPAC name of 1-methyl-6-[4-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]butoxy]quinolin-2-one (CID 66960537) is 1-methyl-6-[4-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]butoxy]quinolin-2-one.
What is the SMILES notation for 1-methyl-6-[4-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]butoxy]quinolin-2-one?
The canonical SMILES for 1-methyl-6-[4-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]butoxy]quinolin-2-one is Cn1c(=O)ccc2cc(OCCCCN(Cc3ccncc3)Cc3cccnc3)ccc21.
What is the InChIKey of 1-methyl-6-[4-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]butoxy]quinolin-2-one?
The InChIKey is KRSKUBVBMZQHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-29-25-8-7-24(17-23(25)6-9-26(29)31)32-16-3-2-15-30(19-21-10-13-27-14-11-21)20-22-5-4-12-28-18-22/h4-14,17-18H,2-3,15-16,19-20H2,1H3.
What are the key properties of 1-methyl-6-[4-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]butoxy]quinolin-2-one?
1-methyl-6-[4-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]butoxy]quinolin-2-one has a molecular weight of 428.54 g/mol, XLogP of 4.19, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[4-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]butoxy]quinolin-2-one is sourced from PubChem (CID 66960537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).