7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline

C16H18Cl2N2 — CID 63390489

IUPAC7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline
SMILESClCCC1CCCN(c2ccnc3cc(Cl)ccc23)C1
InChIInChI=1S/C16H18Cl2N2/c17-7-5-12-2-1-9-20(11-12)16-6-8-19-15-10-13(18)3-4-14(15)16/h3-4,6,8,10,12H,1-2,5,7,9,11H2
InChIKeySFTBJURTHGGFEC-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.73
Rot. Bonds3

About 7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline

7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline (PubChem CID 63390489) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline.

Molecular Properties

Compound Name7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline
PubChem CID63390489
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline
SMILESClCCC1CCCN(c2ccnc3cc(Cl)ccc23)C1
InChIInChI=1S/C16H18Cl2N2/c17-7-5-12-2-1-9-20(11-12)16-6-8-19-15-10-13(18)3-4-14(15)16/h3-4,6,8,10,12H,1-2,5,7,9,11H2
InChIKeySFTBJURTHGGFEC-UHFFFAOYSA-N
XLogP4.73
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline?
The IUPAC name of 7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline (CID 63390489) is 7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline.
What is the SMILES notation for 7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline?
The canonical SMILES for 7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline is ClCCC1CCCN(c2ccnc3cc(Cl)ccc23)C1.
What is the InChIKey of 7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline?
The InChIKey is SFTBJURTHGGFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c17-7-5-12-2-1-9-20(11-12)16-6-8-19-15-10-13(18)3-4-14(15)16/h3-4,6,8,10,12H,1-2,5,7,9,11H2.
What are the key properties of 7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline?
7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline has a molecular weight of 309.24 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline is sourced from PubChem (CID 63390489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).