7-[(N-acetyl-2-methylsulfonylanilino)methyl]-2-aminoquinoline-3-carboxamide

C20H20N4O4S — CID 171502116

IUPAC7-[(N-acetyl-2-methylsulfonylanilino)methyl]-2-aminoquinoline-3-carboxamide
SMILESCC(=O)N(Cc1ccc2cc(C(N)=O)c(N)nc2c1)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C20H20N4O4S/c1-12(25)24(17-5-3-4-6-18(17)29(2,27)28)11-13-7-8-14-10-15(20(22)26)19(21)23-16(14)9-13/h3-10H,11H2,1-2H3,(H2,21,23)(H2,22,26)
InChIKeyWGXCWCFTUQTSIV-UHFFFAOYSA-N
MW412.47 g/mol
LogP1.87
Rot. Bonds5

About 7-[(N-acetyl-2-methylsulfonylanilino)methyl]-2-aminoquinoline-3-carboxamide

7-[(N-acetyl-2-methylsulfonylanilino)methyl]-2-aminoquinoline-3-carboxamide (PubChem CID 171502116) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 7-[(N-acetyl-2-methylsulfonylanilino)methyl]-2-aminoquinoline-3-carboxamide.

Molecular Properties

Compound Name7-[(N-acetyl-2-methylsulfonylanilino)methyl]-2-aminoquinoline-3-carboxamide
PubChem CID171502116
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name7-[(N-acetyl-2-methylsulfonylanilino)methyl]-2-aminoquinoline-3-carboxamide
SMILESCC(=O)N(Cc1ccc2cc(C(N)=O)c(N)nc2c1)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C20H20N4O4S/c1-12(25)24(17-5-3-4-6-18(17)29(2,27)28)11-13-7-8-14-10-15(20(22)26)19(21)23-16(14)9-13/h3-10H,11H2,1-2H3,(H2,21,23)(H2,22,26)
InChIKeyWGXCWCFTUQTSIV-UHFFFAOYSA-N
XLogP1.87
TPSA136.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[(N-acetyl-2-methylsulfonylanilino)methyl]-2-aminoquinoline-3-carboxamide 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-aminoquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide
CID 171502367
N-[(2-aminoquinolin-7-yl)methyl]-N-(2-chloro-6-methylsulfonylphenyl)acetamide
CID 171501575
N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide
CID 171501824
N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 171501151
N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)oxetane-3-carboxamide
CID 171501338
N-[(2-methylquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)acetamide
CID 171501797
N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide
CID 171502111
N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-4,6-dimethylpyridine-3-carboxamide
CID 171501728
N-[(2-aminoquinolin-7-yl)methyl]-N-[2-(hydroxymethyl)-3-pyridinyl]acetamide
CID 171501102
N-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-6-cyclopropyl-N-(2-methylsulfonylphenyl)pyridine-3-carboxamide
CID 171502044
N-[(2-chloroquinolin-7-yl)methyl]-N-quinolin-8-ylacetamide
CID 171501804
N-[(2-aminoquinolin-7-yl)methyl]-2-methoxy-N-(2-methylsulfonyl-3-pyridinyl)acetamide
CID 171502057

Frequently Asked Questions

What is the IUPAC name of 7-[(N-acetyl-2-methylsulfonylanilino)methyl]-2-aminoquinoline-3-carboxamide?
The IUPAC name of 7-[(N-acetyl-2-methylsulfonylanilino)methyl]-2-aminoquinoline-3-carboxamide (CID 171502116) is 7-[(N-acetyl-2-methylsulfonylanilino)methyl]-2-aminoquinoline-3-carboxamide.
What is the SMILES notation for 7-[(N-acetyl-2-methylsulfonylanilino)methyl]-2-aminoquinoline-3-carboxamide?
The canonical SMILES for 7-[(N-acetyl-2-methylsulfonylanilino)methyl]-2-aminoquinoline-3-carboxamide is CC(=O)N(Cc1ccc2cc(C(N)=O)c(N)nc2c1)c1ccccc1S(C)(=O)=O.
What is the InChIKey of 7-[(N-acetyl-2-methylsulfonylanilino)methyl]-2-aminoquinoline-3-carboxamide?
The InChIKey is WGXCWCFTUQTSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-12(25)24(17-5-3-4-6-18(17)29(2,27)28)11-13-7-8-14-10-15(20(22)26)19(21)23-16(14)9-13/h3-10H,11H2,1-2H3,(H2,21,23)(H2,22,26).
What are the key properties of 7-[(N-acetyl-2-methylsulfonylanilino)methyl]-2-aminoquinoline-3-carboxamide?
7-[(N-acetyl-2-methylsulfonylanilino)methyl]-2-aminoquinoline-3-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(N-acetyl-2-methylsulfonylanilino)methyl]-2-aminoquinoline-3-carboxamide is sourced from PubChem (CID 171502116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).