7-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]quinolin-8-ol

C20H22N4O — CID 3000114

IUPAC7-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]quinolin-8-ol
SMILESCN1CCN(C(c2cccnc2)c2ccc3cccnc3c2O)CC1
InChIInChI=1S/C20H22N4O/c1-23-10-12-24(13-11-23)19(16-5-2-8-21-14-16)17-7-6-15-4-3-9-22-18(15)20(17)25/h2-9,14,19,25H,10-13H2,1H3
InChIKeyHSRHOKLBADNCMO-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.67
Rot. Bonds3

About 7-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]quinolin-8-ol

7-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]quinolin-8-ol (PubChem CID 3000114) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 7-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]quinolin-8-ol
PubChem CID3000114
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name7-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]quinolin-8-ol
SMILESCN1CCN(C(c2cccnc2)c2ccc3cccnc3c2O)CC1
InChIInChI=1S/C20H22N4O/c1-23-10-12-24(13-11-23)19(16-5-2-8-21-14-16)17-7-6-15-4-3-9-22-18(15)20(17)25/h2-9,14,19,25H,10-13H2,1H3
InChIKeyHSRHOKLBADNCMO-UHFFFAOYSA-N
XLogP2.67
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.67
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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Frequently Asked Questions

What is the IUPAC name of 7-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]quinolin-8-ol (CID 3000114) is 7-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]quinolin-8-ol is CN1CCN(C(c2cccnc2)c2ccc3cccnc3c2O)CC1.
What is the InChIKey of 7-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]quinolin-8-ol?
The InChIKey is HSRHOKLBADNCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-23-10-12-24(13-11-23)19(16-5-2-8-21-14-16)17-7-6-15-4-3-9-22-18(15)20(17)25/h2-9,14,19,25H,10-13H2,1H3.
What are the key properties of 7-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]quinolin-8-ol?
7-[(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]quinolin-8-ol has a molecular weight of 334.42 g/mol, XLogP of 2.67, 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)-pyridin-3-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 3000114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).