2-[4-(3-chlorophenyl)piperazin-1-yl]-7-methoxy-4-methylquinolin-5-ol

C21H22ClN3O2 — CID 143106876

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-7-methoxy-4-methylquinolin-5-ol
SMILESCOc1cc(O)c2c(C)cc(N3CCN(c4cccc(Cl)c4)CC3)nc2c1
InChIInChI=1S/C21H22ClN3O2/c1-14-10-20(23-18-12-17(27-2)13-19(26)21(14)18)25-8-6-24(7-9-25)16-5-3-4-15(22)11-16/h3-5,10-13,26H,6-9H2,1-2H3
InChIKeyTZHSPIZLLRRCEK-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.24
Rot. Bonds3

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-7-methoxy-4-methylquinolin-5-ol

2-[4-(3-chlorophenyl)piperazin-1-yl]-7-methoxy-4-methylquinolin-5-ol (PubChem CID 143106876) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-7-methoxy-4-methylquinolin-5-ol.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-7-methoxy-4-methylquinolin-5-ol
PubChem CID143106876
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-7-methoxy-4-methylquinolin-5-ol
SMILESCOc1cc(O)c2c(C)cc(N3CCN(c4cccc(Cl)c4)CC3)nc2c1
InChIInChI=1S/C21H22ClN3O2/c1-14-10-20(23-18-12-17(27-2)13-19(26)21(14)18)25-8-6-24(7-9-25)16-5-3-4-15(22)11-16/h3-5,10-13,26H,6-9H2,1-2H3
InChIKeyTZHSPIZLLRRCEK-UHFFFAOYSA-N
XLogP4.24
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3-chlorophenyl)piperazin-1-yl]-7-methoxy-4-methylquinolin-5-ol 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

4-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 133282077
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112724317
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline
CID 4884632
5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine
CID 83970369
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine
CID 112863144
1-(3-chlorophenyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 17152909
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 44901895
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-[(2-methoxyacetyl)amino]quinoline-4-carboxylic acid
CID 50784207
1-(6-bromo-2-pyridinyl)-4-(3-chlorophenyl)piperazine
CID 63960873
1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine
CID 110452715
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
[6-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363660

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-7-methoxy-4-methylquinolin-5-ol?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-7-methoxy-4-methylquinolin-5-ol (CID 143106876) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-7-methoxy-4-methylquinolin-5-ol.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-7-methoxy-4-methylquinolin-5-ol?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-7-methoxy-4-methylquinolin-5-ol is COc1cc(O)c2c(C)cc(N3CCN(c4cccc(Cl)c4)CC3)nc2c1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-7-methoxy-4-methylquinolin-5-ol?
The InChIKey is TZHSPIZLLRRCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-14-10-20(23-18-12-17(27-2)13-19(26)21(14)18)25-8-6-24(7-9-25)16-5-3-4-15(22)11-16/h3-5,10-13,26H,6-9H2,1-2H3.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-7-methoxy-4-methylquinolin-5-ol?
2-[4-(3-chlorophenyl)piperazin-1-yl]-7-methoxy-4-methylquinolin-5-ol has a molecular weight of 383.88 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-7-methoxy-4-methylquinolin-5-ol is sourced from PubChem (CID 143106876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).