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

C20H21N3O3S — CID 171502367

IUPACN-[(2-aminoquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide
SMILESCC(=O)N(Cc1ccc2ccc(N)nc2c1)c1c(C)cccc1S(C)(=O)=O
InChIInChI=1S/C20H21N3O3S/c1-13-5-4-6-18(27(3,25)26)20(13)23(14(2)24)12-15-7-8-16-9-10-19(21)22-17(16)11-15/h4-11H,12H2,1-3H3,(H2,21,22)
InChIKeyADYVEXNSSITVJA-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.08
Rot. Bonds4

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

N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide (PubChem CID 171502367) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2-aminoquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide
PubChem CID171502367
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[(2-aminoquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide
SMILESCC(=O)N(Cc1ccc2ccc(N)nc2c1)c1c(C)cccc1S(C)(=O)=O
InChIInChI=1S/C20H21N3O3S/c1-13-5-4-6-18(27(3,25)26)20(13)23(14(2)24)12-15-7-8-16-9-10-19(21)22-17(16)11-15/h4-11H,12H2,1-3H3,(H2,21,22)
InChIKeyADYVEXNSSITVJA-UHFFFAOYSA-N
XLogP3.08
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methyl-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

Related Compounds

N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide
CID 171502111
N-[(2-aminoquinolin-7-yl)methyl]-N-(2-chloro-6-methylsulfonylphenyl)acetamide
CID 171501575
7-[(N-acetyl-2-methylsulfonylanilino)methyl]-2-aminoquinoline-3-carboxamide
CID 171502116
N-[(2-aminoquinolin-7-yl)methyl]-N-[2-(hydroxymethyl)-3-pyridinyl]acetamide
CID 171501102
N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 171501151
N-[(2-aminoquinolin-7-yl)methyl]-2-methoxy-N-(2-methylsulfonyl-3-pyridinyl)acetamide
CID 171502057
N-[(2-methylquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)acetamide
CID 171501797
N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide
CID 171501060
N-[(2-aminoquinolin-7-yl)methyl]-N-(4-fluoro-2-propan-2-yloxyphenyl)acetamide
CID 171502257
N-[(2-aminoquinolin-7-yl)methyl]-3,3-difluoro-N-(2-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide
CID 171502178
N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide
CID 171501824
N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)oxetane-3-carboxamide
CID 171501338

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide?
The IUPAC name of N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide (CID 171502367) is N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide is CC(=O)N(Cc1ccc2ccc(N)nc2c1)c1c(C)cccc1S(C)(=O)=O.
What is the InChIKey of N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide?
The InChIKey is ADYVEXNSSITVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13-5-4-6-18(27(3,25)26)20(13)23(14(2)24)12-15-7-8-16-9-10-19(21)22-17(16)11-15/h4-11H,12H2,1-3H3,(H2,21,22).
What are the key properties of N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide?
N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide has a molecular weight of 383.47 g/mol, XLogP of 3.08, 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-methyl-6-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 171502367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).