7-chloro-N-[4-[4-(3,5-dibromo-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

C48H39Br2Cl5N10O4S2 — CID 21314879

IUPAC7-chloro-N-[4-[4-(3,5-dibromo-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
SMILESO=S(=O)(c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1)N1CCN(c2ncc(Br)cc2Br)CC1.O=S(=O)(c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1)N1CCN(c2ncc(Cl)c(Cl)c2Cl)CC1
InChIInChI=1S/C24H20Br2ClN5O2S.C24H19Cl4N5O2S/c25-16-13-21(26)24(29-15-16)31-9-11-32(12-10-31)35(33,34)19-4-2-18(3-5-19)30-22-7-8-28-23-14-17(27)1-6-20(22)23;25-15-1-6-18-20(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/h1-8,13-15H,9-12H2,(H,28,30);1-8,13-14H,9-12H2,(H,29,31)
InChIKeySTBDVIYLLZZCBH-UHFFFAOYSA-N
MW1221.11 g/mol
LogP12.56
Rot. Bonds10

About 7-chloro-N-[4-[4-(3,5-dibromo-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

7-chloro-N-[4-[4-(3,5-dibromo-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 21314879) has the molecular formula C48H39Br2Cl5N10O4S2 and a molecular weight of 1221.11 g/mol. Its IUPAC name is 7-chloro-N-[4-[4-(3,5-dibromo-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.

Molecular Properties

Compound Name7-chloro-N-[4-[4-(3,5-dibromo-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 CID21314879
Molecular FormulaC48H39Br2Cl5N10O4S2
Molecular Weight1221.11 g/mol
Exact Mass1215.94
IUPAC Name7-chloro-N-[4-[4-(3,5-dibromo-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
SMILESO=S(=O)(c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1)N1CCN(c2ncc(Br)cc2Br)CC1.O=S(=O)(c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1)N1CCN(c2ncc(Cl)c(Cl)c2Cl)CC1
InChIInChI=1S/C24H20Br2ClN5O2S.C24H19Cl4N5O2S/c25-16-13-21(26)24(29-15-16)31-9-11-32(12-10-31)35(33,34)19-4-2-18(3-5-19)30-22-7-8-28-23-14-17(27)1-6-20(22)23;25-15-1-6-18-20(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/h1-8,13-15H,9-12H2,(H,28,30);1-8,13-14H,9-12H2,(H,29,31)
InChIKeySTBDVIYLLZZCBH-UHFFFAOYSA-N
XLogP12.56
TPSA156.86 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001221.11
LogP ≤ 512.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 7-chloro-N-[4-[4-(3,5-dibromo-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[4-[4-(3,5-dibromo-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?
The IUPAC name of 7-chloro-N-[4-[4-(3,5-dibromo-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 (CID 21314879) is 7-chloro-N-[4-[4-(3,5-dibromo-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.
What is the SMILES notation for 7-chloro-N-[4-[4-(3,5-dibromo-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?
The canonical SMILES for 7-chloro-N-[4-[4-(3,5-dibromo-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 is O=S(=O)(c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1)N1CCN(c2ncc(Br)cc2Br)CC1.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-(3,5-dibromo-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?
The InChIKey is STBDVIYLLZZCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Br2ClN5O2S.C24H19Cl4N5O2S/c25-16-13-21(26)24(29-15-16)31-9-11-32(12-10-31)35(33,34)19-4-2-18(3-5-19)30-22-7-8-28-23-14-17(27)1-6-20(22)23;25-15-1-6-18-20(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/h1-8,13-15H,9-12H2,(H,28,30);1-8,13-14H,9-12H2,(H,29,31).
What are the key properties of 7-chloro-N-[4-[4-(3,5-dibromo-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?
7-chloro-N-[4-[4-(3,5-dibromo-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 1221.11 g/mol, XLogP of 12.56, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[4-[4-(3,5-dibromo-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 is sourced from PubChem (CID 21314879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).