4-(4-methylphenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline

C19H24N4O — CID 70578273

IUPAC4-(4-methylphenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline
SMILESCc1ccc(Oc2nc(N3CCNCC3)nc3c2CCCC3)cc1
InChIInChI=1S/C19H24N4O/c1-14-6-8-15(9-7-14)24-18-16-4-2-3-5-17(16)21-19(22-18)23-12-10-20-11-13-23/h6-9,20H,2-5,10-13H2,1H3
InChIKeyNJSKKSXGOIKCIL-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.87
Rot. Bonds3

About 4-(4-methylphenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline

4-(4-methylphenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline (PubChem CID 70578273) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-(4-methylphenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline
PubChem CID70578273
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name4-(4-methylphenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline
SMILESCc1ccc(Oc2nc(N3CCNCC3)nc3c2CCCC3)cc1
InChIInChI=1S/C19H24N4O/c1-14-6-8-15(9-7-14)24-18-16-4-2-3-5-17(16)21-19(22-18)23-12-10-20-11-13-23/h6-9,20H,2-5,10-13H2,1H3
InChIKeyNJSKKSXGOIKCIL-UHFFFAOYSA-N
XLogP2.87
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-(4-methylphenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline (CID 70578273) is 4-(4-methylphenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-(4-methylphenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-(4-methylphenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline is Cc1ccc(Oc2nc(N3CCNCC3)nc3c2CCCC3)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is NJSKKSXGOIKCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-6-8-15(9-7-14)24-18-16-4-2-3-5-17(16)21-19(22-18)23-12-10-20-11-13-23/h6-9,20H,2-5,10-13H2,1H3.
What are the key properties of 4-(4-methylphenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline?
4-(4-methylphenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 324.43 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-2-piperazin-1-yl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 70578273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).