2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide

C19H16Cl3N3OS — CID 24830997

IUPAC2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(c2ccnc3cc(Cl)ccc23)CC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C19H16Cl3N3OS/c20-11-1-2-13-15(9-11)23-6-3-16(13)25-7-4-12(5-8-25)24-19(26)14-10-17(21)27-18(14)22/h1-3,6,9-10,12H,4-5,7-8H2,(H,24,26)
InChIKeyZTGXCEBSCXTMHO-UHFFFAOYSA-N
MW440.78 g/mol
LogP5.66
Rot. Bonds3

About 2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide

2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 24830997) has the molecular formula C19H16Cl3N3OS and a molecular weight of 440.78 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
PubChem CID24830997
Molecular FormulaC19H16Cl3N3OS
Molecular Weight440.78 g/mol
Exact Mass439.01
IUPAC Name2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(c2ccnc3cc(Cl)ccc23)CC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C19H16Cl3N3OS/c20-11-1-2-13-15(9-11)23-6-3-16(13)25-7-4-12(5-8-25)24-19(26)14-10-17(21)27-18(14)22/h1-3,6,9-10,12H,4-5,7-8H2,(H,24,26)
InChIKeyZTGXCEBSCXTMHO-UHFFFAOYSA-N
XLogP5.66
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.78
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide (CID 24830997) is 2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide is O=C(NC1CCN(c2ccnc3cc(Cl)ccc23)CC1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is ZTGXCEBSCXTMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl3N3OS/c20-11-1-2-13-15(9-11)23-6-3-16(13)25-7-4-12(5-8-25)24-19(26)14-10-17(21)27-18(14)22/h1-3,6,9-10,12H,4-5,7-8H2,(H,24,26).
What are the key properties of 2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide?
2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 440.78 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 24830997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).