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

C29H33N3O4S — CID 90369298

IUPACN-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[2-(2-pyridin-3-ylethyl)phenyl]methanesulfonamide
SMILESCn1c(=O)ccc2cc(OCCCCCN(c3ccccc3CCc3cccnc3)S(C)(=O)=O)ccc21
InChIInChI=1S/C29H33N3O4S/c1-31-27-16-15-26(21-25(27)14-17-29(31)33)36-20-7-3-6-19-32(37(2,34)35)28-11-5-4-10-24(28)13-12-23-9-8-18-30-22-23/h4-5,8-11,14-18,21-22H,3,6-7,12-13,19-20H2,1-2H3
InChIKeyHJNXHARUBXNPNL-UHFFFAOYSA-N
MW519.67 g/mol
LogP4.73
Rot. Bonds12

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

N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[2-(2-pyridin-3-ylethyl)phenyl]methanesulfonamide (PubChem CID 90369298) has the molecular formula C29H33N3O4S and a molecular weight of 519.67 g/mol. Its IUPAC name is N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[2-(2-pyridin-3-ylethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[2-(2-pyridin-3-ylethyl)phenyl]methanesulfonamide
PubChem CID90369298
Molecular FormulaC29H33N3O4S
Molecular Weight519.67 g/mol
Exact Mass519.22
IUPAC NameN-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[2-(2-pyridin-3-ylethyl)phenyl]methanesulfonamide
SMILESCn1c(=O)ccc2cc(OCCCCCN(c3ccccc3CCc3cccnc3)S(C)(=O)=O)ccc21
InChIInChI=1S/C29H33N3O4S/c1-31-27-16-15-26(21-25(27)14-17-29(31)33)36-20-7-3-6-19-32(37(2,34)35)28-11-5-4-10-24(28)13-12-23-9-8-18-30-22-23/h4-5,8-11,14-18,21-22H,3,6-7,12-13,19-20H2,1-2H3
InChIKeyHJNXHARUBXNPNL-UHFFFAOYSA-N
XLogP4.73
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.67
LogP ≤ 54.73
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-[2-(2-pyridin-3-ylethyl)phenyl]methanesulfonamide 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-[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-6-[5-[naphthalen-2-ylmethyl(2-pyridin-3-ylethyl)amino]pentoxy]quinolin-2-one
CID 90229730
N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[1-(2-pyridin-3-ylethyl)cyclohexyl]methanesulfonamide;hydrochloride
CID 90369240
1-methyl-6-[5-(2-pyridin-3-ylethylamino)pentoxy]quinolin-2-one;dihydrochloride
CID 66960568
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-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 90229570
N-[3-(1-methyl-2-oxoquinolin-6-yl)oxypropyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 90230068
1-methyl-6-[2-[2-pyridin-3-ylethyl(pyridin-3-ylmethyl)amino]ethoxy]quinolin-2-one;trihydrochloride
CID 66960064
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
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-[2-(2-pyridin-3-ylethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[2-(2-pyridin-3-ylethyl)phenyl]methanesulfonamide (CID 90369298) is N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[2-(2-pyridin-3-ylethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[2-(2-pyridin-3-ylethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[2-(2-pyridin-3-ylethyl)phenyl]methanesulfonamide is Cn1c(=O)ccc2cc(OCCCCCN(c3ccccc3CCc3cccnc3)S(C)(=O)=O)ccc21.
What is the InChIKey of N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[2-(2-pyridin-3-ylethyl)phenyl]methanesulfonamide?
The InChIKey is HJNXHARUBXNPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O4S/c1-31-27-16-15-26(21-25(27)14-17-29(31)33)36-20-7-3-6-19-32(37(2,34)35)28-11-5-4-10-24(28)13-12-23-9-8-18-30-22-23/h4-5,8-11,14-18,21-22H,3,6-7,12-13,19-20H2,1-2H3.
What are the key properties of N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[2-(2-pyridin-3-ylethyl)phenyl]methanesulfonamide?
N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-[2-(2-pyridin-3-ylethyl)phenyl]methanesulfonamide has a molecular weight of 519.67 g/mol, XLogP of 4.73, 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-[2-(2-pyridin-3-ylethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 90369298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).