2-[2,6-dichloro-4-(2-methylpropylsulfamoyl)anilino]-6-fluoro-N-[(Z)-prop-1-enyl]quinoline-4-carboxamide

C23H23Cl2FN4O3S — CID 70863932

IUPAC2-[2,6-dichloro-4-(2-methylpropylsulfamoyl)anilino]-6-fluoro-N-[(Z)-prop-1-enyl]quinoline-4-carboxamide
SMILESC/C=C\NC(=O)c1cc(Nc2c(Cl)cc(S(=O)(=O)NCC(C)C)cc2Cl)nc2ccc(F)cc12
InChIInChI=1S/C23H23Cl2FN4O3S/c1-4-7-27-23(31)17-11-21(29-20-6-5-14(26)8-16(17)20)30-22-18(24)9-15(10-19(22)25)34(32,33)28-12-13(2)3/h4-11,13,28H,12H2,1-3H3,(H,27,31)(H,29,30)/b7-4-
InChIKeyMFXNFARSHOZIOF-DAXSKMNVSA-N
MW525.43 g/mol
LogP5.62
Rot. Bonds8

About 2-[2,6-dichloro-4-(2-methylpropylsulfamoyl)anilino]-6-fluoro-N-[(Z)-prop-1-enyl]quinoline-4-carboxamide

2-[2,6-dichloro-4-(2-methylpropylsulfamoyl)anilino]-6-fluoro-N-[(Z)-prop-1-enyl]quinoline-4-carboxamide (PubChem CID 70863932) has the molecular formula C23H23Cl2FN4O3S and a molecular weight of 525.43 g/mol. Its IUPAC name is 2-[2,6-dichloro-4-(2-methylpropylsulfamoyl)anilino]-6-fluoro-N-[(Z)-prop-1-enyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[2,6-dichloro-4-(2-methylpropylsulfamoyl)anilino]-6-fluoro-N-[(Z)-prop-1-enyl]quinoline-4-carboxamide
PubChem CID70863932
Molecular FormulaC23H23Cl2FN4O3S
Molecular Weight525.43 g/mol
Exact Mass524.09
IUPAC Name2-[2,6-dichloro-4-(2-methylpropylsulfamoyl)anilino]-6-fluoro-N-[(Z)-prop-1-enyl]quinoline-4-carboxamide
SMILESC/C=C\NC(=O)c1cc(Nc2c(Cl)cc(S(=O)(=O)NCC(C)C)cc2Cl)nc2ccc(F)cc12
InChIInChI=1S/C23H23Cl2FN4O3S/c1-4-7-27-23(31)17-11-21(29-20-6-5-14(26)8-16(17)20)30-22-18(24)9-15(10-19(22)25)34(32,33)28-12-13(2)3/h4-11,13,28H,12H2,1-3H3,(H,27,31)(H,29,30)/b7-4-
InChIKeyMFXNFARSHOZIOF-DAXSKMNVSA-N
XLogP5.62
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.43
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2,6-dichloro-4-(2-methylpropylsulfamoyl)anilino]-6-fluoro-N-[(Z)-prop-1-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

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-4-(2-methylpropylsulfamoyl)anilino]-6-fluoro-N-[(Z)-prop-1-enyl]quinoline-4-carboxamide?
The IUPAC name of 2-[2,6-dichloro-4-(2-methylpropylsulfamoyl)anilino]-6-fluoro-N-[(Z)-prop-1-enyl]quinoline-4-carboxamide (CID 70863932) is 2-[2,6-dichloro-4-(2-methylpropylsulfamoyl)anilino]-6-fluoro-N-[(Z)-prop-1-enyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-[2,6-dichloro-4-(2-methylpropylsulfamoyl)anilino]-6-fluoro-N-[(Z)-prop-1-enyl]quinoline-4-carboxamide?
The canonical SMILES for 2-[2,6-dichloro-4-(2-methylpropylsulfamoyl)anilino]-6-fluoro-N-[(Z)-prop-1-enyl]quinoline-4-carboxamide is C/C=C\NC(=O)c1cc(Nc2c(Cl)cc(S(=O)(=O)NCC(C)C)cc2Cl)nc2ccc(F)cc12.
What is the InChIKey of 2-[2,6-dichloro-4-(2-methylpropylsulfamoyl)anilino]-6-fluoro-N-[(Z)-prop-1-enyl]quinoline-4-carboxamide?
The InChIKey is MFXNFARSHOZIOF-DAXSKMNVSA-N. The full InChI is InChI=1S/C23H23Cl2FN4O3S/c1-4-7-27-23(31)17-11-21(29-20-6-5-14(26)8-16(17)20)30-22-18(24)9-15(10-19(22)25)34(32,33)28-12-13(2)3/h4-11,13,28H,12H2,1-3H3,(H,27,31)(H,29,30)/b7-4-.
What are the key properties of 2-[2,6-dichloro-4-(2-methylpropylsulfamoyl)anilino]-6-fluoro-N-[(Z)-prop-1-enyl]quinoline-4-carboxamide?
2-[2,6-dichloro-4-(2-methylpropylsulfamoyl)anilino]-6-fluoro-N-[(Z)-prop-1-enyl]quinoline-4-carboxamide has a molecular weight of 525.43 g/mol, XLogP of 5.62, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dichloro-4-(2-methylpropylsulfamoyl)anilino]-6-fluoro-N-[(Z)-prop-1-enyl]quinoline-4-carboxamide is sourced from PubChem (CID 70863932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).