4-piperidin-1-yl-2-thiophen-2-ylquinoline

C18H18N2S — CID 704268

IUPAC4-piperidin-1-yl-2-thiophen-2-ylquinoline
SMILESc1csc(-c2cc(N3CCCCC3)c3ccccc3n2)c1
InChIInChI=1S/C18H18N2S/c1-4-10-20(11-5-1)17-13-16(18-9-6-12-21-18)19-15-8-3-2-7-14(15)17/h2-3,6-9,12-13H,1,4-5,10-11H2
InChIKeySSWHDVCIDUKFPK-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.95
Rot. Bonds2

About 4-piperidin-1-yl-2-thiophen-2-ylquinoline

4-piperidin-1-yl-2-thiophen-2-ylquinoline (PubChem CID 704268) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-piperidin-1-yl-2-thiophen-2-ylquinoline.

Molecular Properties

Compound Name4-piperidin-1-yl-2-thiophen-2-ylquinoline
PubChem CID704268
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name4-piperidin-1-yl-2-thiophen-2-ylquinoline
SMILESc1csc(-c2cc(N3CCCCC3)c3ccccc3n2)c1
InChIInChI=1S/C18H18N2S/c1-4-10-20(11-5-1)17-13-16(18-9-6-12-21-18)19-15-8-3-2-7-14(15)17/h2-3,6-9,12-13H,1,4-5,10-11H2
InChIKeySSWHDVCIDUKFPK-UHFFFAOYSA-N
XLogP4.95
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-2-thiophen-2-ylquinoline?
The IUPAC name of 4-piperidin-1-yl-2-thiophen-2-ylquinoline (CID 704268) is 4-piperidin-1-yl-2-thiophen-2-ylquinoline.
What is the SMILES notation for 4-piperidin-1-yl-2-thiophen-2-ylquinoline?
The canonical SMILES for 4-piperidin-1-yl-2-thiophen-2-ylquinoline is c1csc(-c2cc(N3CCCCC3)c3ccccc3n2)c1.
What is the InChIKey of 4-piperidin-1-yl-2-thiophen-2-ylquinoline?
The InChIKey is SSWHDVCIDUKFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-4-10-20(11-5-1)17-13-16(18-9-6-12-21-18)19-15-8-3-2-7-14(15)17/h2-3,6-9,12-13H,1,4-5,10-11H2.
What are the key properties of 4-piperidin-1-yl-2-thiophen-2-ylquinoline?
4-piperidin-1-yl-2-thiophen-2-ylquinoline has a molecular weight of 294.42 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-2-thiophen-2-ylquinoline is sourced from PubChem (CID 704268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).