N-[5,7-dichloro-2-[[(1-methylimidazol-4-yl)methylamino]methyl]quinolin-8-yl]-4-methylbenzenesulfonamide

C22H21Cl2N5O2S — CID 25062715

IUPACN-[5,7-dichloro-2-[[(1-methylimidazol-4-yl)methylamino]methyl]quinolin-8-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)c3ccc(CNCc4cn(C)cn4)nc23)cc1
InChIInChI=1S/C22H21Cl2N5O2S/c1-14-3-6-17(7-4-14)32(30,31)28-22-20(24)9-19(23)18-8-5-15(27-21(18)22)10-25-11-16-12-29(2)13-26-16/h3-9,12-13,25,28H,10-11H2,1-2H3
InChIKeyQAVUQCPXQSQRRD-UHFFFAOYSA-N
MW490.42 g/mol
LogP4.67
Rot. Bonds7

About N-[5,7-dichloro-2-[[(1-methylimidazol-4-yl)methylamino]methyl]quinolin-8-yl]-4-methylbenzenesulfonamide

N-[5,7-dichloro-2-[[(1-methylimidazol-4-yl)methylamino]methyl]quinolin-8-yl]-4-methylbenzenesulfonamide (PubChem CID 25062715) has the molecular formula C22H21Cl2N5O2S and a molecular weight of 490.42 g/mol. Its IUPAC name is N-[5,7-dichloro-2-[[(1-methylimidazol-4-yl)methylamino]methyl]quinolin-8-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5,7-dichloro-2-[[(1-methylimidazol-4-yl)methylamino]methyl]quinolin-8-yl]-4-methylbenzenesulfonamide
PubChem CID25062715
Molecular FormulaC22H21Cl2N5O2S
Molecular Weight490.42 g/mol
Exact Mass489.08
IUPAC NameN-[5,7-dichloro-2-[[(1-methylimidazol-4-yl)methylamino]methyl]quinolin-8-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)c3ccc(CNCc4cn(C)cn4)nc23)cc1
InChIInChI=1S/C22H21Cl2N5O2S/c1-14-3-6-17(7-4-14)32(30,31)28-22-20(24)9-19(23)18-8-5-15(27-21(18)22)10-25-11-16-12-29(2)13-26-16/h3-9,12-13,25,28H,10-11H2,1-2H3
InChIKeyQAVUQCPXQSQRRD-UHFFFAOYSA-N
XLogP4.67
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.42
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5,7-dichloro-2-[[(1-methylimidazol-4-yl)methylamino]methyl]quinolin-8-yl]-4-methylbenzenesulfonamide 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 N-[5,7-dichloro-2-[[(1-methylimidazol-4-yl)methylamino]methyl]quinolin-8-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5,7-dichloro-2-[[(1-methylimidazol-4-yl)methylamino]methyl]quinolin-8-yl]-4-methylbenzenesulfonamide (CID 25062715) is N-[5,7-dichloro-2-[[(1-methylimidazol-4-yl)methylamino]methyl]quinolin-8-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5,7-dichloro-2-[[(1-methylimidazol-4-yl)methylamino]methyl]quinolin-8-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5,7-dichloro-2-[[(1-methylimidazol-4-yl)methylamino]methyl]quinolin-8-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)c3ccc(CNCc4cn(C)cn4)nc23)cc1.
What is the InChIKey of N-[5,7-dichloro-2-[[(1-methylimidazol-4-yl)methylamino]methyl]quinolin-8-yl]-4-methylbenzenesulfonamide?
The InChIKey is QAVUQCPXQSQRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N5O2S/c1-14-3-6-17(7-4-14)32(30,31)28-22-20(24)9-19(23)18-8-5-15(27-21(18)22)10-25-11-16-12-29(2)13-26-16/h3-9,12-13,25,28H,10-11H2,1-2H3.
What are the key properties of N-[5,7-dichloro-2-[[(1-methylimidazol-4-yl)methylamino]methyl]quinolin-8-yl]-4-methylbenzenesulfonamide?
N-[5,7-dichloro-2-[[(1-methylimidazol-4-yl)methylamino]methyl]quinolin-8-yl]-4-methylbenzenesulfonamide has a molecular weight of 490.42 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,7-dichloro-2-[[(1-methylimidazol-4-yl)methylamino]methyl]quinolin-8-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 25062715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).