4-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]propyl]piperazin-2-one

C17H28N6O — CID 134707718

IUPAC4-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]propyl]piperazin-2-one
SMILESCN(C)c1nc2c(c(NCCCN3CCNC(=O)C3)n1)CCCC2
InChIInChI=1S/C17H28N6O/c1-22(2)17-20-14-7-4-3-6-13(14)16(21-17)19-8-5-10-23-11-9-18-15(24)12-23/h3-12H2,1-2H3,(H,18,24)(H,19,20,21)
InChIKeyGNTXNLKAEHEZLF-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.66
Rot. Bonds6

About 4-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]propyl]piperazin-2-one

4-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]propyl]piperazin-2-one (PubChem CID 134707718) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]propyl]piperazin-2-one.

Molecular Properties

Compound Name4-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]propyl]piperazin-2-one
PubChem CID134707718
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC Name4-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]propyl]piperazin-2-one
SMILESCN(C)c1nc2c(c(NCCCN3CCNC(=O)C3)n1)CCCC2
InChIInChI=1S/C17H28N6O/c1-22(2)17-20-14-7-4-3-6-13(14)16(21-17)19-8-5-10-23-11-9-18-15(24)12-23/h3-12H2,1-2H3,(H,18,24)(H,19,20,21)
InChIKeyGNTXNLKAEHEZLF-UHFFFAOYSA-N
XLogP0.66
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]propyl]piperazin-2-one?
The IUPAC name of 4-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]propyl]piperazin-2-one (CID 134707718) is 4-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]propyl]piperazin-2-one.
What is the SMILES notation for 4-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]propyl]piperazin-2-one?
The canonical SMILES for 4-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]propyl]piperazin-2-one is CN(C)c1nc2c(c(NCCCN3CCNC(=O)C3)n1)CCCC2.
What is the InChIKey of 4-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]propyl]piperazin-2-one?
The InChIKey is GNTXNLKAEHEZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O/c1-22(2)17-20-14-7-4-3-6-13(14)16(21-17)19-8-5-10-23-11-9-18-15(24)12-23/h3-12H2,1-2H3,(H,18,24)(H,19,20,21).
What are the key properties of 4-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]propyl]piperazin-2-one?
4-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]propyl]piperazin-2-one has a molecular weight of 332.45 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]propyl]piperazin-2-one is sourced from PubChem (CID 134707718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).