1-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]-4-phenylpiperidin-4-ol

C22H24ClN3O — CID 67248520

IUPAC1-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]-4-phenylpiperidin-4-ol
SMILESNCCc1cc(Cl)c2cccnc2c1N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C22H24ClN3O/c23-19-15-16(8-11-24)21(20-18(19)7-4-12-25-20)26-13-9-22(27,10-14-26)17-5-2-1-3-6-17/h1-7,12,15,27H,8-11,13-14,24H2
InChIKeyGFYLDNZMOQTSIE-UHFFFAOYSA-N
MW381.91 g/mol
LogP3.88
Rot. Bonds4

About 1-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]-4-phenylpiperidin-4-ol

1-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]-4-phenylpiperidin-4-ol (PubChem CID 67248520) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is 1-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]-4-phenylpiperidin-4-ol
PubChem CID67248520
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC Name1-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]-4-phenylpiperidin-4-ol
SMILESNCCc1cc(Cl)c2cccnc2c1N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C22H24ClN3O/c23-19-15-16(8-11-24)21(20-18(19)7-4-12-25-20)26-13-9-22(27,10-14-26)17-5-2-1-3-6-17/h1-7,12,15,27H,8-11,13-14,24H2
InChIKeyGFYLDNZMOQTSIE-UHFFFAOYSA-N
XLogP3.88
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]-4-phenylpiperidin-4-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]-4-phenylpiperidin-4-ol?
The IUPAC name of 1-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]-4-phenylpiperidin-4-ol (CID 67248520) is 1-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]-4-phenylpiperidin-4-ol is NCCc1cc(Cl)c2cccnc2c1N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 1-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]-4-phenylpiperidin-4-ol?
The InChIKey is GFYLDNZMOQTSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O/c23-19-15-16(8-11-24)21(20-18(19)7-4-12-25-20)26-13-9-22(27,10-14-26)17-5-2-1-3-6-17/h1-7,12,15,27H,8-11,13-14,24H2.
What are the key properties of 1-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]-4-phenylpiperidin-4-ol?
1-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]-4-phenylpiperidin-4-ol has a molecular weight of 381.91 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2-aminoethyl)-5-chloroquinolin-8-yl]-4-phenylpiperidin-4-ol is sourced from PubChem (CID 67248520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).