4-[3-(dimethylamino)propoxy]quinazolin-7-amine

C13H18N4O — CID 65336571

IUPAC4-[3-(dimethylamino)propoxy]quinazolin-7-amine
SMILESCN(C)CCCOc1ncnc2cc(N)ccc12
InChIInChI=1S/C13H18N4O/c1-17(2)6-3-7-18-13-11-5-4-10(14)8-12(11)15-9-16-13/h4-5,8-9H,3,6-7,14H2,1-2H3
InChIKeyDJTLQVWETTZCDL-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.54
Rot. Bonds5

About 4-[3-(dimethylamino)propoxy]quinazolin-7-amine

4-[3-(dimethylamino)propoxy]quinazolin-7-amine (PubChem CID 65336571) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propoxy]quinazolin-7-amine.

Molecular Properties

Compound Name4-[3-(dimethylamino)propoxy]quinazolin-7-amine
PubChem CID65336571
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-[3-(dimethylamino)propoxy]quinazolin-7-amine
SMILESCN(C)CCCOc1ncnc2cc(N)ccc12
InChIInChI=1S/C13H18N4O/c1-17(2)6-3-7-18-13-11-5-4-10(14)8-12(11)15-9-16-13/h4-5,8-9H,3,6-7,14H2,1-2H3
InChIKeyDJTLQVWETTZCDL-UHFFFAOYSA-N
XLogP1.54
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propoxy]quinazolin-7-amine?
The IUPAC name of 4-[3-(dimethylamino)propoxy]quinazolin-7-amine (CID 65336571) is 4-[3-(dimethylamino)propoxy]quinazolin-7-amine.
What is the SMILES notation for 4-[3-(dimethylamino)propoxy]quinazolin-7-amine?
The canonical SMILES for 4-[3-(dimethylamino)propoxy]quinazolin-7-amine is CN(C)CCCOc1ncnc2cc(N)ccc12.
What is the InChIKey of 4-[3-(dimethylamino)propoxy]quinazolin-7-amine?
The InChIKey is DJTLQVWETTZCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-17(2)6-3-7-18-13-11-5-4-10(14)8-12(11)15-9-16-13/h4-5,8-9H,3,6-7,14H2,1-2H3.
What are the key properties of 4-[3-(dimethylamino)propoxy]quinazolin-7-amine?
4-[3-(dimethylamino)propoxy]quinazolin-7-amine has a molecular weight of 246.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propoxy]quinazolin-7-amine is sourced from PubChem (CID 65336571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).