N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[1-(2-pyridin-3-ylethyl)cyclohexyl]methanesulfonamide;hydrochloride

C29H40ClN3O4S — CID 90369240

IUPACN-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[1-(2-pyridin-3-ylethyl)cyclohexyl]methanesulfonamide;hydrochloride
SMILESCl.Cn1c(=O)ccc2cc(OCCCCCN(C3(CCc4cccnc4)CCCCC3)S(C)(=O)=O)ccc21
InChIInChI=1S/C29H39N3O4S.ClH/c1-31-27-13-12-26(22-25(27)11-14-28(31)33)36-21-8-4-7-20-32(37(2,34)35)29(16-5-3-6-17-29)18-15-24-10-9-19-30-23-24;/h9-14,19,22-23H,3-8,15-18,20-21H2,1-2H3;1H
InChIKeyTWJKPBZUEYFMMS-UHFFFAOYSA-N
MW562.18 g/mol
LogP5.50
Rot. Bonds12

About N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[1-(2-pyridin-3-ylethyl)cyclohexyl]methanesulfonamide;hydrochloride

N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[1-(2-pyridin-3-ylethyl)cyclohexyl]methanesulfonamide;hydrochloride (PubChem CID 90369240) has the molecular formula C29H40ClN3O4S and a molecular weight of 562.18 g/mol. Its IUPAC name is N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[1-(2-pyridin-3-ylethyl)cyclohexyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[1-(2-pyridin-3-ylethyl)cyclohexyl]methanesulfonamide;hydrochloride
PubChem CID90369240
Molecular FormulaC29H40ClN3O4S
Molecular Weight562.18 g/mol
Exact Mass561.24
IUPAC NameN-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[1-(2-pyridin-3-ylethyl)cyclohexyl]methanesulfonamide;hydrochloride
SMILESCl.Cn1c(=O)ccc2cc(OCCCCCN(C3(CCc4cccnc4)CCCCC3)S(C)(=O)=O)ccc21
InChIInChI=1S/C29H39N3O4S.ClH/c1-31-27-13-12-26(22-25(27)11-14-28(31)33)36-21-8-4-7-20-32(37(2,34)35)29(16-5-3-6-17-29)18-15-24-10-9-19-30-23-24;/h9-14,19,22-23H,3-8,15-18,20-21H2,1-2H3;1H
InChIKeyTWJKPBZUEYFMMS-UHFFFAOYSA-N
XLogP5.50
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.18
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[1-(2-pyridin-3-ylethyl)cyclohexyl]methanesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-ylethylamino)pentoxy]quinolin-2-one;dihydrochloride
CID 66960568
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-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-[3-(1-methyl-2-oxoquinolin-6-yl)oxypropyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 90230068
1-methyl-6-[5-[2-pyridin-3-ylethyl(quinolin-4-ylmethyl)amino]pentoxy]quinolin-2-one
CID 140651697
N-[3-(1-methyl-2-oxoquinolin-6-yl)oxypropyl]-N-[2-[2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethyl]phenyl]methanesulfonamide;dihydrochloride
CID 90369258
1-methyl-7-[3-[2-pyridin-3-ylethyl(pyridin-4-ylmethyl)amino]propoxy]quinolin-2-one;trihydrochloride
CID 70657147

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[1-(2-pyridin-3-ylethyl)cyclohexyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[1-(2-pyridin-3-ylethyl)cyclohexyl]methanesulfonamide;hydrochloride (CID 90369240) is N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[1-(2-pyridin-3-ylethyl)cyclohexyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[1-(2-pyridin-3-ylethyl)cyclohexyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[1-(2-pyridin-3-ylethyl)cyclohexyl]methanesulfonamide;hydrochloride is Cl.Cn1c(=O)ccc2cc(OCCCCCN(C3(CCc4cccnc4)CCCCC3)S(C)(=O)=O)ccc21.
What is the InChIKey of N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[1-(2-pyridin-3-ylethyl)cyclohexyl]methanesulfonamide;hydrochloride?
The InChIKey is TWJKPBZUEYFMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O4S.ClH/c1-31-27-13-12-26(22-25(27)11-14-28(31)33)36-21-8-4-7-20-32(37(2,34)35)29(16-5-3-6-17-29)18-15-24-10-9-19-30-23-24;/h9-14,19,22-23H,3-8,15-18,20-21H2,1-2H3;1H.
What are the key properties of N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[1-(2-pyridin-3-ylethyl)cyclohexyl]methanesulfonamide;hydrochloride?
N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[1-(2-pyridin-3-ylethyl)cyclohexyl]methanesulfonamide;hydrochloride has a molecular weight of 562.18 g/mol, XLogP of 5.50, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[1-(2-pyridin-3-ylethyl)cyclohexyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 90369240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).