N-[(2-aminoquinolin-7-yl)methyl]-N-(2-chloro-6-methylsulfonylphenyl)acetamide

C19H18ClN3O3S — CID 171501575

IUPACN-[(2-aminoquinolin-7-yl)methyl]-N-(2-chloro-6-methylsulfonylphenyl)acetamide
SMILESCC(=O)N(Cc1ccc2ccc(N)nc2c1)c1c(Cl)cccc1S(C)(=O)=O
InChIInChI=1S/C19H18ClN3O3S/c1-12(24)23(19-15(20)4-3-5-17(19)27(2,25)26)11-13-6-7-14-8-9-18(21)22-16(14)10-13/h3-10H,11H2,1-2H3,(H2,21,22)
InChIKeyDQXMZQKWFVRRKH-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.43
Rot. Bonds4

About N-[(2-aminoquinolin-7-yl)methyl]-N-(2-chloro-6-methylsulfonylphenyl)acetamide

N-[(2-aminoquinolin-7-yl)methyl]-N-(2-chloro-6-methylsulfonylphenyl)acetamide (PubChem CID 171501575) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is N-[(2-aminoquinolin-7-yl)methyl]-N-(2-chloro-6-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2-aminoquinolin-7-yl)methyl]-N-(2-chloro-6-methylsulfonylphenyl)acetamide
PubChem CID171501575
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC NameN-[(2-aminoquinolin-7-yl)methyl]-N-(2-chloro-6-methylsulfonylphenyl)acetamide
SMILESCC(=O)N(Cc1ccc2ccc(N)nc2c1)c1c(Cl)cccc1S(C)(=O)=O
InChIInChI=1S/C19H18ClN3O3S/c1-12(24)23(19-15(20)4-3-5-17(19)27(2,25)26)11-13-6-7-14-8-9-18(21)22-16(14)10-13/h3-10H,11H2,1-2H3,(H2,21,22)
InChIKeyDQXMZQKWFVRRKH-UHFFFAOYSA-N
XLogP3.43
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-aminoquinolin-7-yl)methyl]-N-(2-chloro-6-methylsulfonylphenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminoquinolin-7-yl)methyl]-N-(2-chloro-6-methylsulfonylphenyl)acetamide?
The IUPAC name of N-[(2-aminoquinolin-7-yl)methyl]-N-(2-chloro-6-methylsulfonylphenyl)acetamide (CID 171501575) is N-[(2-aminoquinolin-7-yl)methyl]-N-(2-chloro-6-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[(2-aminoquinolin-7-yl)methyl]-N-(2-chloro-6-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-[(2-aminoquinolin-7-yl)methyl]-N-(2-chloro-6-methylsulfonylphenyl)acetamide is CC(=O)N(Cc1ccc2ccc(N)nc2c1)c1c(Cl)cccc1S(C)(=O)=O.
What is the InChIKey of N-[(2-aminoquinolin-7-yl)methyl]-N-(2-chloro-6-methylsulfonylphenyl)acetamide?
The InChIKey is DQXMZQKWFVRRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-12(24)23(19-15(20)4-3-5-17(19)27(2,25)26)11-13-6-7-14-8-9-18(21)22-16(14)10-13/h3-10H,11H2,1-2H3,(H2,21,22).
What are the key properties of N-[(2-aminoquinolin-7-yl)methyl]-N-(2-chloro-6-methylsulfonylphenyl)acetamide?
N-[(2-aminoquinolin-7-yl)methyl]-N-(2-chloro-6-methylsulfonylphenyl)acetamide has a molecular weight of 403.89 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminoquinolin-7-yl)methyl]-N-(2-chloro-6-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 171501575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).