N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)oxetane-3-carboxamide

C21H19ClN2O4S — CID 171501338

IUPACN-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)oxetane-3-carboxamide
SMILESCS(=O)(=O)c1ccccc1N(Cc1ccc2ccc(Cl)nc2c1)C(=O)C1COC1
InChIInChI=1S/C21H19ClN2O4S/c1-29(26,27)19-5-3-2-4-18(19)24(21(25)16-12-28-13-16)11-14-6-7-15-8-9-20(22)23-17(15)10-14/h2-10,16H,11-13H2,1H3
InChIKeyZRJSUWBYHLMJLM-UHFFFAOYSA-N
MW430.91 g/mol
LogP3.47
Rot. Bonds5

About N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)oxetane-3-carboxamide

N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)oxetane-3-carboxamide (PubChem CID 171501338) has the molecular formula C21H19ClN2O4S and a molecular weight of 430.91 g/mol. Its IUPAC name is N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)oxetane-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)oxetane-3-carboxamide
PubChem CID171501338
Molecular FormulaC21H19ClN2O4S
Molecular Weight430.91 g/mol
Exact Mass430.08
IUPAC NameN-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)oxetane-3-carboxamide
SMILESCS(=O)(=O)c1ccccc1N(Cc1ccc2ccc(Cl)nc2c1)C(=O)C1COC1
InChIInChI=1S/C21H19ClN2O4S/c1-29(26,27)19-5-3-2-4-18(19)24(21(25)16-12-28-13-16)11-14-6-7-15-8-9-20(22)23-17(15)10-14/h2-10,16H,11-13H2,1H3
InChIKeyZRJSUWBYHLMJLM-UHFFFAOYSA-N
XLogP3.47
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)oxetane-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-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide
CID 171501824
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-chloroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-2-methylpyrimidine-5-carboxamide
CID 171502168
N-[(2-chloro-3-fluoroquinolin-7-yl)methyl]-6-cyclopropyl-N-(2-methylsulfonylphenyl)pyridine-3-carboxamide
CID 171502044
N-[(2-aminoquinolin-7-yl)methyl]-3,3-difluoro-N-(2-methylsulfonyl-3-pyridinyl)cyclobutane-1-carboxamide
CID 171502178
N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 171501151
N-[(2-chloroquinolin-7-yl)methyl]-N-quinolin-8-ylacetamide
CID 171501804
N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide
CID 171502367
N-[(2-methylquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)acetamide
CID 171501797
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 N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)oxetane-3-carboxamide?
The IUPAC name of N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)oxetane-3-carboxamide (CID 171501338) is N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)oxetane-3-carboxamide.
What is the SMILES notation for N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)oxetane-3-carboxamide?
The canonical SMILES for N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)oxetane-3-carboxamide is CS(=O)(=O)c1ccccc1N(Cc1ccc2ccc(Cl)nc2c1)C(=O)C1COC1.
What is the InChIKey of N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)oxetane-3-carboxamide?
The InChIKey is ZRJSUWBYHLMJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4S/c1-29(26,27)19-5-3-2-4-18(19)24(21(25)16-12-28-13-16)11-14-6-7-15-8-9-20(22)23-17(15)10-14/h2-10,16H,11-13H2,1H3.
What are the key properties of N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)oxetane-3-carboxamide?
N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)oxetane-3-carboxamide has a molecular weight of 430.91 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)oxetane-3-carboxamide is sourced from PubChem (CID 171501338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).