3-chloro-6-methoxy-4-(piperidin-4-ylmethyl)quinoline

C16H19ClN2O — CID 3062248

IUPAC3-chloro-6-methoxy-4-(piperidin-4-ylmethyl)quinoline
SMILESCOc1ccc2ncc(Cl)c(CC3CCNCC3)c2c1
InChIInChI=1S/C16H19ClN2O/c1-20-12-2-3-16-14(9-12)13(15(17)10-19-16)8-11-4-6-18-7-5-11/h2-3,9-11,18H,4-8H2,1H3
InChIKeyHBQVSPKNMJKKSJ-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.44
Rot. Bonds3

About 3-chloro-6-methoxy-4-(piperidin-4-ylmethyl)quinoline

3-chloro-6-methoxy-4-(piperidin-4-ylmethyl)quinoline (PubChem CID 3062248) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 3-chloro-6-methoxy-4-(piperidin-4-ylmethyl)quinoline.

Molecular Properties

Compound Name3-chloro-6-methoxy-4-(piperidin-4-ylmethyl)quinoline
PubChem CID3062248
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name3-chloro-6-methoxy-4-(piperidin-4-ylmethyl)quinoline
SMILESCOc1ccc2ncc(Cl)c(CC3CCNCC3)c2c1
InChIInChI=1S/C16H19ClN2O/c1-20-12-2-3-16-14(9-12)13(15(17)10-19-16)8-11-4-6-18-7-5-11/h2-3,9-11,18H,4-8H2,1H3
InChIKeyHBQVSPKNMJKKSJ-UHFFFAOYSA-N
XLogP3.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methoxy-4-(piperidin-4-ylmethyl)quinoline?
The IUPAC name of 3-chloro-6-methoxy-4-(piperidin-4-ylmethyl)quinoline (CID 3062248) is 3-chloro-6-methoxy-4-(piperidin-4-ylmethyl)quinoline.
What is the SMILES notation for 3-chloro-6-methoxy-4-(piperidin-4-ylmethyl)quinoline?
The canonical SMILES for 3-chloro-6-methoxy-4-(piperidin-4-ylmethyl)quinoline is COc1ccc2ncc(Cl)c(CC3CCNCC3)c2c1.
What is the InChIKey of 3-chloro-6-methoxy-4-(piperidin-4-ylmethyl)quinoline?
The InChIKey is HBQVSPKNMJKKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-20-12-2-3-16-14(9-12)13(15(17)10-19-16)8-11-4-6-18-7-5-11/h2-3,9-11,18H,4-8H2,1H3.
What are the key properties of 3-chloro-6-methoxy-4-(piperidin-4-ylmethyl)quinoline?
3-chloro-6-methoxy-4-(piperidin-4-ylmethyl)quinoline has a molecular weight of 290.79 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methoxy-4-(piperidin-4-ylmethyl)quinoline is sourced from PubChem (CID 3062248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).