6-methoxy-2-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]quinoline-4-carboxamide

C16H18N2O4S — CID 139018664

IUPAC6-methoxy-2-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]quinoline-4-carboxamide
SMILESCOc1ccc2nc(C)cc(C(=O)NC/C=C/S(C)(=O)=O)c2c1
InChIInChI=1S/C16H18N2O4S/c1-11-9-14(16(19)17-7-4-8-23(3,20)21)13-10-12(22-2)5-6-15(13)18-11/h4-6,8-10H,7H2,1-3H3,(H,17,19)/b8-4+
InChIKeyXJRSRQSSXWTPRV-XBXARRHUSA-N
MW334.40 g/mol
LogP1.84
Rot. Bonds5

About 6-methoxy-2-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]quinoline-4-carboxamide

6-methoxy-2-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]quinoline-4-carboxamide (PubChem CID 139018664) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]quinoline-4-carboxamide
PubChem CID139018664
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name6-methoxy-2-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]quinoline-4-carboxamide
SMILESCOc1ccc2nc(C)cc(C(=O)NC/C=C/S(C)(=O)=O)c2c1
InChIInChI=1S/C16H18N2O4S/c1-11-9-14(16(19)17-7-4-8-23(3,20)21)13-10-12(22-2)5-6-15(13)18-11/h4-6,8-10H,7H2,1-3H3,(H,17,19)/b8-4+
InChIKeyXJRSRQSSXWTPRV-XBXARRHUSA-N
XLogP1.84
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-2-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]quinoline-4-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

methyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate
CID 82667452
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679
N-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide
CID 110001393
6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 46291486
N-(2-aminoethyl)-7-methoxy-2-methylquinoline-4-carboxamide
CID 119061251
benzyl 6-methoxy-2-methylquinoline-4-carboxylate
CID 164676582
6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 46291474
6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid
CID 4639551
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 56524273
6-amino-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 110489408
cyclopentyl 6-methoxy-2-methylquinoline-4-carboxylate
CID 75422217
7-methoxy-2-methyl-N-[(3-methyloxetan-3-yl)methyl]quinoline-4-carboxamide
CID 119059354

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]quinoline-4-carboxamide?
The IUPAC name of 6-methoxy-2-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]quinoline-4-carboxamide (CID 139018664) is 6-methoxy-2-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]quinoline-4-carboxamide.
What is the SMILES notation for 6-methoxy-2-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]quinoline-4-carboxamide?
The canonical SMILES for 6-methoxy-2-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]quinoline-4-carboxamide is COc1ccc2nc(C)cc(C(=O)NC/C=C/S(C)(=O)=O)c2c1.
What is the InChIKey of 6-methoxy-2-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]quinoline-4-carboxamide?
The InChIKey is XJRSRQSSXWTPRV-XBXARRHUSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-11-9-14(16(19)17-7-4-8-23(3,20)21)13-10-12(22-2)5-6-15(13)18-11/h4-6,8-10H,7H2,1-3H3,(H,17,19)/b8-4+.
What are the key properties of 6-methoxy-2-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]quinoline-4-carboxamide?
6-methoxy-2-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]quinoline-4-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]quinoline-4-carboxamide is sourced from PubChem (CID 139018664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).