1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one

C18H25N5O — CID 37129641

IUPAC1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1
InChIInChI=1S/C18H25N5O/c1-18(2,3)17(24)23-10-8-22(9-11-23)12-15-20-14-7-5-4-6-13(14)16(19)21-15/h4-7H,8-12H2,1-3H3,(H2,19,20,21)
InChIKeyQSXPEQULGPQACP-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.90
Rot. Bonds2

About 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 37129641) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID37129641
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1
InChIInChI=1S/C18H25N5O/c1-18(2,3)17(24)23-10-8-22(9-11-23)12-15-20-14-7-5-4-6-13(14)16(19)21-15/h4-7H,8-12H2,1-3H3,(H2,19,20,21)
InChIKeyQSXPEQULGPQACP-UHFFFAOYSA-N
XLogP1.90
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 37129641) is 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1.
What is the InChIKey of 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is QSXPEQULGPQACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-18(2,3)17(24)23-10-8-22(9-11-23)12-15-20-14-7-5-4-6-13(14)16(19)21-15/h4-7H,8-12H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 327.43 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 37129641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).