7-chloro-N-[4-[4-(3,4,5-trichloro-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]quinolin-4-amine

C24H19Cl4N5O2S — CID 21314880

IUPAC7-chloro-N-[4-[4-(3,4,5-trichloro-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]quinolin-4-amine
SMILESO=S(=O)(c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1)N1CCN(c2ncc(Cl)c(Cl)c2Cl)CC1
InChIInChI=1S/C24H19Cl4N5O2S/c25-15-1-6-18-20(7-8-29-21(18)13-15)31-16-2-4-17(5-3-16)36(34,35)33-11-9-32(10-12-33)24-23(28)22(27)19(26)14-30-24/h1-8,13-14H,9-12H2,(H,29,31)
InChIKeyVQLBUMGCXDKIAU-UHFFFAOYSA-N
MW583.33 g/mol
LogP6.50
Rot. Bonds5

About 7-chloro-N-[4-[4-(3,4,5-trichloro-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]quinolin-4-amine

7-chloro-N-[4-[4-(3,4,5-trichloro-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]quinolin-4-amine (PubChem CID 21314880) has the molecular formula C24H19Cl4N5O2S and a molecular weight of 583.33 g/mol. Its IUPAC name is 7-chloro-N-[4-[4-(3,4,5-trichloro-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[4-[4-(3,4,5-trichloro-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]quinolin-4-amine
PubChem CID21314880
Molecular FormulaC24H19Cl4N5O2S
Molecular Weight583.33 g/mol
Exact Mass581.00
IUPAC Name7-chloro-N-[4-[4-(3,4,5-trichloro-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]quinolin-4-amine
SMILESO=S(=O)(c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1)N1CCN(c2ncc(Cl)c(Cl)c2Cl)CC1
InChIInChI=1S/C24H19Cl4N5O2S/c25-15-1-6-18-20(7-8-29-21(18)13-15)31-16-2-4-17(5-3-16)36(34,35)33-11-9-32(10-12-33)24-23(28)22(27)19(26)14-30-24/h1-8,13-14H,9-12H2,(H,29,31)
InChIKeyVQLBUMGCXDKIAU-UHFFFAOYSA-N
XLogP6.50
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.33
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-chloro-N-[4-[4-(3,4,5-trichloro-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]quinolin-4-amine with MolForge

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Related Compounds

4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]sulfonyl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 21314856
7-chloro-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 2957990
N-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-7-(trifluoromethyl)quinolin-4-amine
CID 21314810
7-chloro-N-[4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]phenyl]quinolin-4-amine
CID 635250
7-chloro-4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 71658756
7-chloro-N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]quinolin-4-amine
CID 7256421
1-(4-chlorophenyl)sulfonyl-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperidine-4-carboxamide
CID 100798913
6-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-4-amine
CID 39850740
4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-7-chloroquinoline
CID 2823722
N-[4-[4-(3-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]-7-(trifluoromethyl)quinolin-4-amine
CID 21314901
4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
CID 24757093
6-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl-1,4-dimethylquinoxaline-2,3-dione
CID 5301727

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[4-[4-(3,4,5-trichloro-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[4-[4-(3,4,5-trichloro-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]quinolin-4-amine (CID 21314880) is 7-chloro-N-[4-[4-(3,4,5-trichloro-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[4-[4-(3,4,5-trichloro-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[4-[4-(3,4,5-trichloro-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]quinolin-4-amine is O=S(=O)(c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1)N1CCN(c2ncc(Cl)c(Cl)c2Cl)CC1.
What is the InChIKey of 7-chloro-N-[4-[4-(3,4,5-trichloro-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]quinolin-4-amine?
The InChIKey is VQLBUMGCXDKIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl4N5O2S/c25-15-1-6-18-20(7-8-29-21(18)13-15)31-16-2-4-17(5-3-16)36(34,35)33-11-9-32(10-12-33)24-23(28)22(27)19(26)14-30-24/h1-8,13-14H,9-12H2,(H,29,31).
What are the key properties of 7-chloro-N-[4-[4-(3,4,5-trichloro-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]quinolin-4-amine?
7-chloro-N-[4-[4-(3,4,5-trichloro-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]quinolin-4-amine has a molecular weight of 583.33 g/mol, XLogP of 6.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[4-[4-(3,4,5-trichloro-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]quinolin-4-amine is sourced from PubChem (CID 21314880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).