2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline

C23H28N4 — CID 2862104

IUPAC2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline
SMILESCCCCN1CCN(c2nc(-c3ccccc3)c3cc(C)ccc3n2)CC1
InChIInChI=1S/C23H28N4/c1-3-4-12-26-13-15-27(16-14-26)23-24-21-11-10-18(2)17-20(21)22(25-23)19-8-6-5-7-9-19/h5-11,17H,3-4,12-16H2,1-2H3
InChIKeyXSZKJVXMIROOMV-UHFFFAOYSA-N
MW360.51 g/mol
LogP4.53
Rot. Bonds5

About 2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline

2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline (PubChem CID 2862104) has the molecular formula C23H28N4 and a molecular weight of 360.51 g/mol. Its IUPAC name is 2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline.

Molecular Properties

Compound Name2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline
PubChem CID2862104
Molecular FormulaC23H28N4
Molecular Weight360.51 g/mol
Exact Mass360.23
IUPAC Name2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline
SMILESCCCCN1CCN(c2nc(-c3ccccc3)c3cc(C)ccc3n2)CC1
InChIInChI=1S/C23H28N4/c1-3-4-12-26-13-15-27(16-14-26)23-24-21-11-10-18(2)17-20(21)22(25-23)19-8-6-5-7-9-19/h5-11,17H,3-4,12-16H2,1-2H3
InChIKeyXSZKJVXMIROOMV-UHFFFAOYSA-N
XLogP4.53
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline?
The IUPAC name of 2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline (CID 2862104) is 2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline.
What is the SMILES notation for 2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline?
The canonical SMILES for 2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline is CCCCN1CCN(c2nc(-c3ccccc3)c3cc(C)ccc3n2)CC1.
What is the InChIKey of 2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline?
The InChIKey is XSZKJVXMIROOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4/c1-3-4-12-26-13-15-27(16-14-26)23-24-21-11-10-18(2)17-20(21)22(25-23)19-8-6-5-7-9-19/h5-11,17H,3-4,12-16H2,1-2H3.
What are the key properties of 2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline?
2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline has a molecular weight of 360.51 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylpiperazin-1-yl)-6-methyl-4-phenylquinazoline is sourced from PubChem (CID 2862104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).