2-[(4-chlorophenyl)methyl]-7-methyl-5-(4-methylpiperazin-1-yl)isoindol-1-ol

C21H24ClN3O — CID 90840924

IUPAC2-[(4-chlorophenyl)methyl]-7-methyl-5-(4-methylpiperazin-1-yl)isoindol-1-ol
SMILESCc1cc(N2CCN(C)CC2)cc2cn(Cc3ccc(Cl)cc3)c(O)c12
InChIInChI=1S/C21H24ClN3O/c1-15-11-19(24-9-7-23(2)8-10-24)12-17-14-25(21(26)20(15)17)13-16-3-5-18(22)6-4-16/h3-6,11-12,14,26H,7-10,13H2,1-2H3
InChIKeyUWPNUSRHPAKMGX-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.11
Rot. Bonds3

About 2-[(4-chlorophenyl)methyl]-7-methyl-5-(4-methylpiperazin-1-yl)isoindol-1-ol

2-[(4-chlorophenyl)methyl]-7-methyl-5-(4-methylpiperazin-1-yl)isoindol-1-ol (PubChem CID 90840924) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-7-methyl-5-(4-methylpiperazin-1-yl)isoindol-1-ol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-7-methyl-5-(4-methylpiperazin-1-yl)isoindol-1-ol
PubChem CID90840924
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name2-[(4-chlorophenyl)methyl]-7-methyl-5-(4-methylpiperazin-1-yl)isoindol-1-ol
SMILESCc1cc(N2CCN(C)CC2)cc2cn(Cc3ccc(Cl)cc3)c(O)c12
InChIInChI=1S/C21H24ClN3O/c1-15-11-19(24-9-7-23(2)8-10-24)12-17-14-25(21(26)20(15)17)13-16-3-5-18(22)6-4-16/h3-6,11-12,14,26H,7-10,13H2,1-2H3
InChIKeyUWPNUSRHPAKMGX-UHFFFAOYSA-N
XLogP4.11
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methyl]-7-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]isoindol-1-ol
CID 91336365
2-[(4-ethylphenyl)methyl]-7-methyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]isoindol-1-ol
CID 90797033
7-chloro-2-[(4-chlorophenyl)methyl]-5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]isoindol-1-ol
CID 90959309
2-(4-chlorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 17484787
4-hydroxy-3-methyl-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazol-2-one
CID 91258588
methyl 1-hydroxy-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindole-5-carboxylate
CID 90957439
1-hydroxy-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindole-5-carbonitrile
CID 91182983
2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 2228389
1-(3,4-dimethylphenyl)-4-methylpiperazine
CID 21363783
4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56685918
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol
CID 36839442
N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113109947

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-7-methyl-5-(4-methylpiperazin-1-yl)isoindol-1-ol?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-7-methyl-5-(4-methylpiperazin-1-yl)isoindol-1-ol (CID 90840924) is 2-[(4-chlorophenyl)methyl]-7-methyl-5-(4-methylpiperazin-1-yl)isoindol-1-ol.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-7-methyl-5-(4-methylpiperazin-1-yl)isoindol-1-ol?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-7-methyl-5-(4-methylpiperazin-1-yl)isoindol-1-ol is Cc1cc(N2CCN(C)CC2)cc2cn(Cc3ccc(Cl)cc3)c(O)c12.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-7-methyl-5-(4-methylpiperazin-1-yl)isoindol-1-ol?
The InChIKey is UWPNUSRHPAKMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-15-11-19(24-9-7-23(2)8-10-24)12-17-14-25(21(26)20(15)17)13-16-3-5-18(22)6-4-16/h3-6,11-12,14,26H,7-10,13H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-7-methyl-5-(4-methylpiperazin-1-yl)isoindol-1-ol?
2-[(4-chlorophenyl)methyl]-7-methyl-5-(4-methylpiperazin-1-yl)isoindol-1-ol has a molecular weight of 369.90 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-7-methyl-5-(4-methylpiperazin-1-yl)isoindol-1-ol is sourced from PubChem (CID 90840924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).