7-[(4-methylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methyl]quinolin-8-ol

C21H24N4O — CID 53484245

IUPAC7-[(4-methylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methyl]quinolin-8-ol
SMILESCc1cccnc1C(c1ccc2cccnc2c1O)N1CCN(C)CC1
InChIInChI=1S/C21H24N4O/c1-15-5-3-9-22-18(15)20(25-13-11-24(2)12-14-25)17-8-7-16-6-4-10-23-19(16)21(17)26/h3-10,20,26H,11-14H2,1-2H3
InChIKeyUQMVXWFVLXJKBN-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.98
Rot. Bonds3

About 7-[(4-methylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methyl]quinolin-8-ol

7-[(4-methylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methyl]quinolin-8-ol (PubChem CID 53484245) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 7-[(4-methylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-methylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methyl]quinolin-8-ol
PubChem CID53484245
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name7-[(4-methylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methyl]quinolin-8-ol
SMILESCc1cccnc1C(c1ccc2cccnc2c1O)N1CCN(C)CC1
InChIInChI=1S/C21H24N4O/c1-15-5-3-9-22-18(15)20(25-13-11-24(2)12-14-25)17-8-7-16-6-4-10-23-19(16)21(17)26/h3-10,20,26H,11-14H2,1-2H3
InChIKeyUQMVXWFVLXJKBN-UHFFFAOYSA-N
XLogP2.98
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[(4-methylpiperazin-1-yl)-pyrimidin-2-ylmethyl]quinolin-8-ol
CID 53484246
7-[(S)-pyridin-3-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol
CID 675468
7-[morpholin-4-yl(thiophen-2-yl)methyl]quinolin-8-ol
CID 3129060
7-[(4-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 4984292
7-[(R)-(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CID 7122140
7-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]quinolin-8-ol
CID 28721808
(8-hydroxyquinolin-7-yl)methanediol
CID 145367917
1-[(3-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]piperazine
CID 3314309
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
7-[[4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-1-yl]-pyridin-2-ylmethyl]quinolin-8-ol
CID 70796170
7-[amino(phenyl)methyl]quinolin-8-ol
CID 118080370
8-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide
CID 53303052

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methyl]quinolin-8-ol?
The IUPAC name of 7-[(4-methylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methyl]quinolin-8-ol (CID 53484245) is 7-[(4-methylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-methylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-methylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methyl]quinolin-8-ol is Cc1cccnc1C(c1ccc2cccnc2c1O)N1CCN(C)CC1.
What is the InChIKey of 7-[(4-methylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methyl]quinolin-8-ol?
The InChIKey is UQMVXWFVLXJKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-5-3-9-22-18(15)20(25-13-11-24(2)12-14-25)17-8-7-16-6-4-10-23-19(16)21(17)26/h3-10,20,26H,11-14H2,1-2H3.
What are the key properties of 7-[(4-methylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methyl]quinolin-8-ol?
7-[(4-methylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methyl]quinolin-8-ol has a molecular weight of 348.45 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methyl]quinolin-8-ol is sourced from PubChem (CID 53484245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).