1-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one

C23H27N5O — CID 25144877

IUPAC1-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(c2nc(NCc3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C23H27N5O/c1-17(2)22(29)27-12-14-28(15-13-27)23-25-20-11-7-6-10-19(20)21(26-23)24-16-18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,24,25,26)
InChIKeyOUAGJYBCYXYNQQ-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.55
Rot. Bonds5

About 1-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one

1-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 25144877) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one
PubChem CID25144877
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name1-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(c2nc(NCc3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C23H27N5O/c1-17(2)22(29)27-12-14-28(15-13-27)23-25-20-11-7-6-10-19(20)21(26-23)24-16-18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,24,25,26)
InChIKeyOUAGJYBCYXYNQQ-UHFFFAOYSA-N
XLogP3.55
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one (CID 25144877) is 1-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCN(c2nc(NCc3ccccc3)c3ccccc3n2)CC1.
What is the InChIKey of 1-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is OUAGJYBCYXYNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-17(2)22(29)27-12-14-28(15-13-27)23-25-20-11-7-6-10-19(20)21(26-23)24-16-18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,24,25,26).
What are the key properties of 1-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one?
1-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 389.50 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 25144877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).