ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-2-piperidin-1-ylquinoline-3-carboxylate

C24H24Cl2N2O2 — CID 86683022

IUPACethyl 6-chloro-4-[(2-chlorophenyl)methyl]-2-piperidin-1-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(N2CCCCC2)nc2ccc(Cl)cc2c1Cc1ccccc1Cl
InChIInChI=1S/C24H24Cl2N2O2/c1-2-30-24(29)22-19(14-16-8-4-5-9-20(16)26)18-15-17(25)10-11-21(18)27-23(22)28-12-6-3-7-13-28/h4-5,8-11,15H,2-3,6-7,12-14H2,1H3
InChIKeyHXAUNLQDSOAOCU-UHFFFAOYSA-N
MW443.37 g/mol
LogP6.30
Rot. Bonds5

About ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-2-piperidin-1-ylquinoline-3-carboxylate

ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-2-piperidin-1-ylquinoline-3-carboxylate (PubChem CID 86683022) has the molecular formula C24H24Cl2N2O2 and a molecular weight of 443.37 g/mol. Its IUPAC name is ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-2-piperidin-1-ylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4-[(2-chlorophenyl)methyl]-2-piperidin-1-ylquinoline-3-carboxylate
PubChem CID86683022
Molecular FormulaC24H24Cl2N2O2
Molecular Weight443.37 g/mol
Exact Mass442.12
IUPAC Nameethyl 6-chloro-4-[(2-chlorophenyl)methyl]-2-piperidin-1-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(N2CCCCC2)nc2ccc(Cl)cc2c1Cc1ccccc1Cl
InChIInChI=1S/C24H24Cl2N2O2/c1-2-30-24(29)22-19(14-16-8-4-5-9-20(16)26)18-15-17(25)10-11-21(18)27-23(22)28-12-6-3-7-13-28/h4-5,8-11,15H,2-3,6-7,12-14H2,1H3
InChIKeyHXAUNLQDSOAOCU-UHFFFAOYSA-N
XLogP6.30
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.37
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-2-piperidin-1-ylquinoline-3-carboxylate with MolForge

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Related Compounds

ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-2-cyclopropylquinoline-3-carboxylate
CID 86682929
1-(6-chloro-4-phenyl-2-piperidin-1-ylquinolin-3-yl)ethanone
CID 2834583
6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carbohydrazide
CID 86683004
ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-8-methoxy-2-propan-2-ylquinoline-3-carboxylate
CID 86683014
ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
CID 629761
ethyl 4-chloro-2-(2,4-dichlorophenyl)-6-methylquinoline-3-carboxylate
CID 141399841
ethyl 4,6-dichloro-2-methylsulfanylquinoline-3-carboxylate
CID 2736409
ethyl 2-[(4-benzyl-1,4-diazepan-1-yl)methyl]-6-chloro-4-phenylquinoline-3-carboxylate
CID 162643650
ethyl 4-[(3-chlorophenyl)methyl]-2-methylquinoline-3-carboxylate
CID 45142175
ethyl 6-chloro-4-phenylquinoline-2-carboxylate
CID 53355070
ethyl 6-chloro-2-methylsulfanyl-4-phenoxyquinoline-3-carboxylate
CID 2822561
ethyl 2-amino-4-chloroquinoline-3-carboxylate
CID 141107450

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-2-piperidin-1-ylquinoline-3-carboxylate?
The IUPAC name of ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-2-piperidin-1-ylquinoline-3-carboxylate (CID 86683022) is ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-2-piperidin-1-ylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-2-piperidin-1-ylquinoline-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-2-piperidin-1-ylquinoline-3-carboxylate is CCOC(=O)c1c(N2CCCCC2)nc2ccc(Cl)cc2c1Cc1ccccc1Cl.
What is the InChIKey of ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-2-piperidin-1-ylquinoline-3-carboxylate?
The InChIKey is HXAUNLQDSOAOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O2/c1-2-30-24(29)22-19(14-16-8-4-5-9-20(16)26)18-15-17(25)10-11-21(18)27-23(22)28-12-6-3-7-13-28/h4-5,8-11,15H,2-3,6-7,12-14H2,1H3.
What are the key properties of ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-2-piperidin-1-ylquinoline-3-carboxylate?
ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-2-piperidin-1-ylquinoline-3-carboxylate has a molecular weight of 443.37 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-2-piperidin-1-ylquinoline-3-carboxylate is sourced from PubChem (CID 86683022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).