4-[2-(dimethylamino)ethoxy]quinazolin-7-amine

C12H16N4O — CID 65336522

IUPAC4-[2-(dimethylamino)ethoxy]quinazolin-7-amine
SMILESCN(C)CCOc1ncnc2cc(N)ccc12
InChIInChI=1S/C12H16N4O/c1-16(2)5-6-17-12-10-4-3-9(13)7-11(10)14-8-15-12/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyVQCRQPYEEQCWNJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.15
Rot. Bonds4

About 4-[2-(dimethylamino)ethoxy]quinazolin-7-amine

4-[2-(dimethylamino)ethoxy]quinazolin-7-amine (PubChem CID 65336522) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]quinazolin-7-amine.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]quinazolin-7-amine
PubChem CID65336522
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name4-[2-(dimethylamino)ethoxy]quinazolin-7-amine
SMILESCN(C)CCOc1ncnc2cc(N)ccc12
InChIInChI=1S/C12H16N4O/c1-16(2)5-6-17-12-10-4-3-9(13)7-11(10)14-8-15-12/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyVQCRQPYEEQCWNJ-UHFFFAOYSA-N
XLogP1.15
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]quinazolin-7-amine?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]quinazolin-7-amine (CID 65336522) is 4-[2-(dimethylamino)ethoxy]quinazolin-7-amine.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]quinazolin-7-amine?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]quinazolin-7-amine is CN(C)CCOc1ncnc2cc(N)ccc12.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]quinazolin-7-amine?
The InChIKey is VQCRQPYEEQCWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16(2)5-6-17-12-10-4-3-9(13)7-11(10)14-8-15-12/h3-4,7-8H,5-6,13H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)ethoxy]quinazolin-7-amine?
4-[2-(dimethylamino)ethoxy]quinazolin-7-amine has a molecular weight of 232.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]quinazolin-7-amine is sourced from PubChem (CID 65336522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).