N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide

C24H29ClN4O4S — CID 100798529

IUPACN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)NCCCNc1ccnc2cc(Cl)ccc12)S(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C24H29ClN4O4S/c1-4-29(34(31,32)19-7-9-23(33-3)17(2)14-19)16-24(30)28-12-5-11-26-21-10-13-27-22-15-18(25)6-8-20(21)22/h6-10,13-15H,4-5,11-12,16H2,1-3H3,(H,26,27)(H,28,30)
InChIKeyIAGFNKHMEZBKCE-UHFFFAOYSA-N
MW505.04 g/mol
LogP3.83
Rot. Bonds11

About N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide

N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide (PubChem CID 100798529) has the molecular formula C24H29ClN4O4S and a molecular weight of 505.04 g/mol. Its IUPAC name is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
PubChem CID100798529
Molecular FormulaC24H29ClN4O4S
Molecular Weight505.04 g/mol
Exact Mass504.16
IUPAC NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)NCCCNc1ccnc2cc(Cl)ccc12)S(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C24H29ClN4O4S/c1-4-29(34(31,32)19-7-9-23(33-3)17(2)14-19)16-24(30)28-12-5-11-26-21-10-13-27-22-15-18(25)6-8-20(21)22/h6-10,13-15H,4-5,11-12,16H2,1-3H3,(H,26,27)(H,28,30)
InChIKeyIAGFNKHMEZBKCE-UHFFFAOYSA-N
XLogP3.83
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.04
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100791462
2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]acetamide
CID 100797360
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 100796036
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]acetamide
CID 100792995
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]acetamide
CID 100795332
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]acetamide
CID 100792319
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 45373402
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]acetamide
CID 100793127
2-[(4-chlorophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]acetamide
CID 100792722
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]acetamide
CID 100790561
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]acetamide
CID 100794158

Frequently Asked Questions

What is the IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide (CID 100798529) is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide is CCN(CC(=O)NCCCNc1ccnc2cc(Cl)ccc12)S(=O)(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide?
The InChIKey is IAGFNKHMEZBKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O4S/c1-4-29(34(31,32)19-7-9-23(33-3)17(2)14-19)16-24(30)28-12-5-11-26-21-10-13-27-22-15-18(25)6-8-20(21)22/h6-10,13-15H,4-5,11-12,16H2,1-3H3,(H,26,27)(H,28,30).
What are the key properties of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide?
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide has a molecular weight of 505.04 g/mol, XLogP of 3.83, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 100798529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).