1-methyl-6-[5-(2-pyridin-3-ylethylamino)pentoxy]quinolin-2-one;dihydrochloride

C22H29Cl2N3O2 — CID 66960568

IUPAC1-methyl-6-[5-(2-pyridin-3-ylethylamino)pentoxy]quinolin-2-one;dihydrochloride
SMILESCl.Cl.Cn1c(=O)ccc2cc(OCCCCCNCCc3cccnc3)ccc21
InChIInChI=1S/C22H27N3O2.2ClH/c1-25-21-9-8-20(16-19(21)7-10-22(25)26)27-15-4-2-3-12-23-14-11-18-6-5-13-24-17-18;;/h5-10,13,16-17,23H,2-4,11-12,14-15H2,1H3;2*1H
InChIKeyOHUADICZLZLDKQ-UHFFFAOYSA-N
MW438.40 g/mol
LogP4.16
Rot. Bonds10

About 1-methyl-6-[5-(2-pyridin-3-ylethylamino)pentoxy]quinolin-2-one;dihydrochloride

1-methyl-6-[5-(2-pyridin-3-ylethylamino)pentoxy]quinolin-2-one;dihydrochloride (PubChem CID 66960568) has the molecular formula C22H29Cl2N3O2 and a molecular weight of 438.40 g/mol. Its IUPAC name is 1-methyl-6-[5-(2-pyridin-3-ylethylamino)pentoxy]quinolin-2-one;dihydrochloride.

Molecular Properties

Compound Name1-methyl-6-[5-(2-pyridin-3-ylethylamino)pentoxy]quinolin-2-one;dihydrochloride
PubChem CID66960568
Molecular FormulaC22H29Cl2N3O2
Molecular Weight438.40 g/mol
Exact Mass437.16
IUPAC Name1-methyl-6-[5-(2-pyridin-3-ylethylamino)pentoxy]quinolin-2-one;dihydrochloride
SMILESCl.Cl.Cn1c(=O)ccc2cc(OCCCCCNCCc3cccnc3)ccc21
InChIInChI=1S/C22H27N3O2.2ClH/c1-25-21-9-8-20(16-19(21)7-10-22(25)26)27-15-4-2-3-12-23-14-11-18-6-5-13-24-17-18;;/h5-10,13,16-17,23H,2-4,11-12,14-15H2,1H3;2*1H
InChIKeyOHUADICZLZLDKQ-UHFFFAOYSA-N
XLogP4.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-6-[2-[2-pyridin-3-ylethyl(pyridin-3-ylmethyl)amino]ethoxy]quinolin-2-one;trihydrochloride
CID 66960064
N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 90229570
1-methyl-6-[5-[naphthalen-2-ylmethyl(2-pyridin-3-ylethyl)amino]pentoxy]quinolin-2-one
CID 90229730
1-methyl-6-[4-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]butoxy]quinolin-2-one
CID 66960537
1-methyl-6-[3-(2-pyridin-2-ylethylamino)propoxy]quinolin-2-one
CID 66961029
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
N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[2-(2-pyridin-3-ylethyl)phenyl]methanesulfonamide
CID 90369298
1-methyl-6-[5-[2-pyridin-3-ylethyl(quinolin-4-ylmethyl)amino]pentoxy]quinolin-2-one
CID 140651697
N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[1-(2-pyridin-3-ylethyl)cyclohexyl]methanesulfonamide;hydrochloride
CID 90369240
1-methyl-6-[2-(1-pyridin-3-ylethylamino)ethoxy]quinolin-2-one
CID 66961479
N-[3-(1-methyl-2-oxoquinolin-6-yl)oxypropyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 90230068

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[5-(2-pyridin-3-ylethylamino)pentoxy]quinolin-2-one;dihydrochloride?
The IUPAC name of 1-methyl-6-[5-(2-pyridin-3-ylethylamino)pentoxy]quinolin-2-one;dihydrochloride (CID 66960568) is 1-methyl-6-[5-(2-pyridin-3-ylethylamino)pentoxy]quinolin-2-one;dihydrochloride.
What is the SMILES notation for 1-methyl-6-[5-(2-pyridin-3-ylethylamino)pentoxy]quinolin-2-one;dihydrochloride?
The canonical SMILES for 1-methyl-6-[5-(2-pyridin-3-ylethylamino)pentoxy]quinolin-2-one;dihydrochloride is Cl.Cl.Cn1c(=O)ccc2cc(OCCCCCNCCc3cccnc3)ccc21.
What is the InChIKey of 1-methyl-6-[5-(2-pyridin-3-ylethylamino)pentoxy]quinolin-2-one;dihydrochloride?
The InChIKey is OHUADICZLZLDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.2ClH/c1-25-21-9-8-20(16-19(21)7-10-22(25)26)27-15-4-2-3-12-23-14-11-18-6-5-13-24-17-18;;/h5-10,13,16-17,23H,2-4,11-12,14-15H2,1H3;2*1H.
What are the key properties of 1-methyl-6-[5-(2-pyridin-3-ylethylamino)pentoxy]quinolin-2-one;dihydrochloride?
1-methyl-6-[5-(2-pyridin-3-ylethylamino)pentoxy]quinolin-2-one;dihydrochloride has a molecular weight of 438.40 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[5-(2-pyridin-3-ylethylamino)pentoxy]quinolin-2-one;dihydrochloride is sourced from PubChem (CID 66960568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).