6-(4-methylpiperazin-1-yl)-4-piperidin-4-ylquinazoline

C18H25N5 — CID 59551712

IUPAC6-(4-methylpiperazin-1-yl)-4-piperidin-4-ylquinazoline
SMILESCN1CCN(c2ccc3ncnc(C4CCNCC4)c3c2)CC1
InChIInChI=1S/C18H25N5/c1-22-8-10-23(11-9-22)15-2-3-17-16(12-15)18(21-13-20-17)14-4-6-19-7-5-14/h2-3,12-14,19H,4-11H2,1H3
InChIKeyRTXIYXFFDFYNMZ-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.85
Rot. Bonds2

About 6-(4-methylpiperazin-1-yl)-4-piperidin-4-ylquinazoline

6-(4-methylpiperazin-1-yl)-4-piperidin-4-ylquinazoline (PubChem CID 59551712) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-4-piperidin-4-ylquinazoline.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-4-piperidin-4-ylquinazoline
PubChem CID59551712
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name6-(4-methylpiperazin-1-yl)-4-piperidin-4-ylquinazoline
SMILESCN1CCN(c2ccc3ncnc(C4CCNCC4)c3c2)CC1
InChIInChI=1S/C18H25N5/c1-22-8-10-23(11-9-22)15-2-3-17-16(12-15)18(21-13-20-17)14-4-6-19-7-5-14/h2-3,12-14,19H,4-11H2,1H3
InChIKeyRTXIYXFFDFYNMZ-UHFFFAOYSA-N
XLogP1.85
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-4-piperidin-4-ylquinazoline?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-4-piperidin-4-ylquinazoline (CID 59551712) is 6-(4-methylpiperazin-1-yl)-4-piperidin-4-ylquinazoline.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-4-piperidin-4-ylquinazoline?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-4-piperidin-4-ylquinazoline is CN1CCN(c2ccc3ncnc(C4CCNCC4)c3c2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-4-piperidin-4-ylquinazoline?
The InChIKey is RTXIYXFFDFYNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-22-8-10-23(11-9-22)15-2-3-17-16(12-15)18(21-13-20-17)14-4-6-19-7-5-14/h2-3,12-14,19H,4-11H2,1H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)-4-piperidin-4-ylquinazoline?
6-(4-methylpiperazin-1-yl)-4-piperidin-4-ylquinazoline has a molecular weight of 311.43 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-4-piperidin-4-ylquinazoline is sourced from PubChem (CID 59551712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).