7-[[4-[(1-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol

C25H25N3O2 — CID 176719632

IUPAC7-[[4-[(1-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol
SMILESOc1c(CN2CCN(Cc3ccc4cccnc4c3O)CC2)ccc2ccccc12
InChIInChI=1S/C25H25N3O2/c29-24-20(9-7-18-4-1-2-6-22(18)24)16-27-12-14-28(15-13-27)17-21-10-8-19-5-3-11-26-23(19)25(21)30/h1-11,29-30H,12-17H2
InChIKeyNMEAGBRJNZXQCB-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.12
Rot. Bonds4

About 7-[[4-[(1-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol

7-[[4-[(1-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol (PubChem CID 176719632) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 7-[[4-[(1-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[[4-[(1-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol
PubChem CID176719632
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name7-[[4-[(1-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol
SMILESOc1c(CN2CCN(Cc3ccc4cccnc4c3O)CC2)ccc2ccccc12
InChIInChI=1S/C25H25N3O2/c29-24-20(9-7-18-4-1-2-6-22(18)24)16-27-12-14-28(15-13-27)17-21-10-8-19-5-3-11-26-23(19)25(21)30/h1-11,29-30H,12-17H2
InChIKeyNMEAGBRJNZXQCB-UHFFFAOYSA-N
XLogP4.12
TPSA59.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 7-[[4-[(1-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]methyl]quinolin-8-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

7-[(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methyl]quinolin-8-ol
CID 46837185
ethyl 4-[(8-hydroxyquinolin-7-yl)methyl]piperazine-1-carboxylate
CID 3464193
5-bromo-7-[(4-ethylpiperazin-1-yl)methyl]quinolin-8-ol
CID 18830094
hecta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99-nonanonacontaene;piperidine;7-(piperidin-1-ylmethyl)quinolin-8-ol;quinolin-8-ol
CID 158957557
5,7-bis(piperidin-1-ylmethyl)quinolin-8-ol
CID 3470863
5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride
CID 131888000
8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline
CID 30385370
5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 716609
8-chloro-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline
CID 146025679
8-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 146025660
5-[(4-cyclopentylpiperazin-1-yl)methyl]quinolin-8-ol
CID 171541808
7-propylquinolin-8-ol
CID 11604513

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[(1-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol?
The IUPAC name of 7-[[4-[(1-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol (CID 176719632) is 7-[[4-[(1-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol.
What is the SMILES notation for 7-[[4-[(1-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol?
The canonical SMILES for 7-[[4-[(1-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol is Oc1c(CN2CCN(Cc3ccc4cccnc4c3O)CC2)ccc2ccccc12.
What is the InChIKey of 7-[[4-[(1-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol?
The InChIKey is NMEAGBRJNZXQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c29-24-20(9-7-18-4-1-2-6-22(18)24)16-27-12-14-28(15-13-27)17-21-10-8-19-5-3-11-26-23(19)25(21)30/h1-11,29-30H,12-17H2.
What are the key properties of 7-[[4-[(1-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol?
7-[[4-[(1-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol has a molecular weight of 399.49 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[(1-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol is sourced from PubChem (CID 176719632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).