2,4-dichloro-6-methoxy-3-piperidin-1-ylquinoline

C15H16Cl2N2O — CID 110272527

IUPAC2,4-dichloro-6-methoxy-3-piperidin-1-ylquinoline
SMILESCOc1ccc2nc(Cl)c(N3CCCCC3)c(Cl)c2c1
InChIInChI=1S/C15H16Cl2N2O/c1-20-10-5-6-12-11(9-10)13(16)14(15(17)18-12)19-7-3-2-4-8-19/h5-6,9H,2-4,7-8H2,1H3
InChIKeyZPYINRAZWQAXQS-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.54
Rot. Bonds2

About 2,4-dichloro-6-methoxy-3-piperidin-1-ylquinoline

2,4-dichloro-6-methoxy-3-piperidin-1-ylquinoline (PubChem CID 110272527) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 2,4-dichloro-6-methoxy-3-piperidin-1-ylquinoline.

Molecular Properties

Compound Name2,4-dichloro-6-methoxy-3-piperidin-1-ylquinoline
PubChem CID110272527
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name2,4-dichloro-6-methoxy-3-piperidin-1-ylquinoline
SMILESCOc1ccc2nc(Cl)c(N3CCCCC3)c(Cl)c2c1
InChIInChI=1S/C15H16Cl2N2O/c1-20-10-5-6-12-11(9-10)13(16)14(15(17)18-12)19-7-3-2-4-8-19/h5-6,9H,2-4,7-8H2,1H3
InChIKeyZPYINRAZWQAXQS-UHFFFAOYSA-N
XLogP4.54
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,4-dichloro-6-methoxy-3-piperidin-1-ylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-6-methoxy-2-methyl-4-piperazin-1-ylquinoline
CID 121236492
6-methoxy-1-piperidin-1-ylnaphthalen-2-ol
CID 141446934
4-(azepan-1-yl)-6-methoxyquinazoline
CID 21002922
6-methoxy-2-piperidin-1-ylquinoline
CID 143398989
1-(6-chloro-2-methoxyacridin-9-yl)piperidin-4-ol
CID 71595103
2-chloro-6-methoxy-4-pyrrolidin-1-ylquinolin-1-ium-3-carbaldehyde
CID 7450686
6-methoxy-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3-carboxylic acid
CID 61355615
4-chloro-6-methoxycinnoline-3-carboxylic acid
CID 83898135
2-(4-methoxyphenyl)-3-piperidin-1-ylquinoline-4-carboxylic acid
CID 16643828
1-(4-methoxyphenyl)piperidine
CID 10130315
6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 5205722
4-chloro-6-methoxy-2-propylquinazoline
CID 106584452

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-methoxy-3-piperidin-1-ylquinoline?
The IUPAC name of 2,4-dichloro-6-methoxy-3-piperidin-1-ylquinoline (CID 110272527) is 2,4-dichloro-6-methoxy-3-piperidin-1-ylquinoline.
What is the SMILES notation for 2,4-dichloro-6-methoxy-3-piperidin-1-ylquinoline?
The canonical SMILES for 2,4-dichloro-6-methoxy-3-piperidin-1-ylquinoline is COc1ccc2nc(Cl)c(N3CCCCC3)c(Cl)c2c1.
What is the InChIKey of 2,4-dichloro-6-methoxy-3-piperidin-1-ylquinoline?
The InChIKey is ZPYINRAZWQAXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-20-10-5-6-12-11(9-10)13(16)14(15(17)18-12)19-7-3-2-4-8-19/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 2,4-dichloro-6-methoxy-3-piperidin-1-ylquinoline?
2,4-dichloro-6-methoxy-3-piperidin-1-ylquinoline has a molecular weight of 311.21 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-methoxy-3-piperidin-1-ylquinoline is sourced from PubChem (CID 110272527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).