3-chloro-6-methoxy-4-(2-piperidin-4-ylethyl)quinoline

C17H21ClN2O — CID 3062231

IUPAC3-chloro-6-methoxy-4-(2-piperidin-4-ylethyl)quinoline
SMILESCOc1ccc2ncc(Cl)c(CCC3CCNCC3)c2c1
InChIInChI=1S/C17H21ClN2O/c1-21-13-3-5-17-15(10-13)14(16(18)11-20-17)4-2-12-6-8-19-9-7-12/h3,5,10-12,19H,2,4,6-9H2,1H3
InChIKeyACGZWTQIIOSSFL-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.83
Rot. Bonds4

About 3-chloro-6-methoxy-4-(2-piperidin-4-ylethyl)quinoline

3-chloro-6-methoxy-4-(2-piperidin-4-ylethyl)quinoline (PubChem CID 3062231) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 3-chloro-6-methoxy-4-(2-piperidin-4-ylethyl)quinoline.

Molecular Properties

Compound Name3-chloro-6-methoxy-4-(2-piperidin-4-ylethyl)quinoline
PubChem CID3062231
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name3-chloro-6-methoxy-4-(2-piperidin-4-ylethyl)quinoline
SMILESCOc1ccc2ncc(Cl)c(CCC3CCNCC3)c2c1
InChIInChI=1S/C17H21ClN2O/c1-21-13-3-5-17-15(10-13)14(16(18)11-20-17)4-2-12-6-8-19-9-7-12/h3,5,10-12,19H,2,4,6-9H2,1H3
InChIKeyACGZWTQIIOSSFL-UHFFFAOYSA-N
XLogP3.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.83
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-(2-piperidin-4-ylethyl)quinoline?
The IUPAC name of 3-chloro-6-methoxy-4-(2-piperidin-4-ylethyl)quinoline (CID 3062231) is 3-chloro-6-methoxy-4-(2-piperidin-4-ylethyl)quinoline.
What is the SMILES notation for 3-chloro-6-methoxy-4-(2-piperidin-4-ylethyl)quinoline?
The canonical SMILES for 3-chloro-6-methoxy-4-(2-piperidin-4-ylethyl)quinoline is COc1ccc2ncc(Cl)c(CCC3CCNCC3)c2c1.
What is the InChIKey of 3-chloro-6-methoxy-4-(2-piperidin-4-ylethyl)quinoline?
The InChIKey is ACGZWTQIIOSSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-21-13-3-5-17-15(10-13)14(16(18)11-20-17)4-2-12-6-8-19-9-7-12/h3,5,10-12,19H,2,4,6-9H2,1H3.
What are the key properties of 3-chloro-6-methoxy-4-(2-piperidin-4-ylethyl)quinoline?
3-chloro-6-methoxy-4-(2-piperidin-4-ylethyl)quinoline has a molecular weight of 304.82 g/mol, XLogP of 3.83, 4 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-(2-piperidin-4-ylethyl)quinoline is sourced from PubChem (CID 3062231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).