7-[(4-methylpiperazin-1-yl)-pyrimidin-2-ylmethyl]quinolin-8-ol

C19H21N5O — CID 53484246

IUPAC7-[(4-methylpiperazin-1-yl)-pyrimidin-2-ylmethyl]quinolin-8-ol
SMILESCN1CCN(C(c2ncccn2)c2ccc3cccnc3c2O)CC1
InChIInChI=1S/C19H21N5O/c1-23-10-12-24(13-11-23)17(19-21-8-3-9-22-19)15-6-5-14-4-2-7-20-16(14)18(15)25/h2-9,17,25H,10-13H2,1H3
InChIKeyFSJZNXVGOWYIOZ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.07
Rot. Bonds3

About 7-[(4-methylpiperazin-1-yl)-pyrimidin-2-ylmethyl]quinolin-8-ol

7-[(4-methylpiperazin-1-yl)-pyrimidin-2-ylmethyl]quinolin-8-ol (PubChem CID 53484246) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 7-[(4-methylpiperazin-1-yl)-pyrimidin-2-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-methylpiperazin-1-yl)-pyrimidin-2-ylmethyl]quinolin-8-ol
PubChem CID53484246
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name7-[(4-methylpiperazin-1-yl)-pyrimidin-2-ylmethyl]quinolin-8-ol
SMILESCN1CCN(C(c2ncccn2)c2ccc3cccnc3c2O)CC1
InChIInChI=1S/C19H21N5O/c1-23-10-12-24(13-11-23)17(19-21-8-3-9-22-19)15-6-5-14-4-2-7-20-16(14)18(15)25/h2-9,17,25H,10-13H2,1H3
InChIKeyFSJZNXVGOWYIOZ-UHFFFAOYSA-N
XLogP2.07
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[(4-methylpiperazin-1-yl)-pyrimidin-2-ylmethyl]quinolin-8-ol with MolForge

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Related Compounds

7-[(4-methylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methyl]quinolin-8-ol
CID 53484245
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
7-[amino(phenyl)methyl]quinolin-8-ol
CID 118080370
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
8-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide
CID 53303052
7-[oxan-4-yl(thiophen-2-yl)methyl]quinolin-8-ol
CID 127049605

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methylpiperazin-1-yl)-pyrimidin-2-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[(4-methylpiperazin-1-yl)-pyrimidin-2-ylmethyl]quinolin-8-ol (CID 53484246) is 7-[(4-methylpiperazin-1-yl)-pyrimidin-2-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-methylpiperazin-1-yl)-pyrimidin-2-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-methylpiperazin-1-yl)-pyrimidin-2-ylmethyl]quinolin-8-ol is CN1CCN(C(c2ncccn2)c2ccc3cccnc3c2O)CC1.
What is the InChIKey of 7-[(4-methylpiperazin-1-yl)-pyrimidin-2-ylmethyl]quinolin-8-ol?
The InChIKey is FSJZNXVGOWYIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-23-10-12-24(13-11-23)17(19-21-8-3-9-22-19)15-6-5-14-4-2-7-20-16(14)18(15)25/h2-9,17,25H,10-13H2,1H3.
What are the key properties of 7-[(4-methylpiperazin-1-yl)-pyrimidin-2-ylmethyl]quinolin-8-ol?
7-[(4-methylpiperazin-1-yl)-pyrimidin-2-ylmethyl]quinolin-8-ol has a molecular weight of 335.41 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methylpiperazin-1-yl)-pyrimidin-2-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 53484246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).