4-N-[2-(4-ethoxyphenyl)ethyl]quinazoline-4,6-diamine

C18H20N4O — CID 509561

IUPAC4-N-[2-(4-ethoxyphenyl)ethyl]quinazoline-4,6-diamine
SMILESCCOc1ccc(CCNc2ncnc3ccc(N)cc23)cc1
InChIInChI=1S/C18H20N4O/c1-2-23-15-6-3-13(4-7-15)9-10-20-18-16-11-14(19)5-8-17(16)21-12-22-18/h3-8,11-12H,2,9-10,19H2,1H3,(H,20,21,22)
InChIKeyAVVJBDXGPHLCHN-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.27
Rot. Bonds6

About 4-N-[2-(4-ethoxyphenyl)ethyl]quinazoline-4,6-diamine

4-N-[2-(4-ethoxyphenyl)ethyl]quinazoline-4,6-diamine (PubChem CID 509561) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-N-[2-(4-ethoxyphenyl)ethyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(4-ethoxyphenyl)ethyl]quinazoline-4,6-diamine
PubChem CID509561
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name4-N-[2-(4-ethoxyphenyl)ethyl]quinazoline-4,6-diamine
SMILESCCOc1ccc(CCNc2ncnc3ccc(N)cc23)cc1
InChIInChI=1S/C18H20N4O/c1-2-23-15-6-3-13(4-7-15)9-10-20-18-16-11-14(19)5-8-17(16)21-12-22-18/h3-8,11-12H,2,9-10,19H2,1H3,(H,20,21,22)
InChIKeyAVVJBDXGPHLCHN-UHFFFAOYSA-N
XLogP3.27
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
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-N-[2-(4-ethoxyphenyl)ethyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[2-(4-ethoxyphenyl)ethyl]quinazoline-4,6-diamine (CID 509561) is 4-N-[2-(4-ethoxyphenyl)ethyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[2-(4-ethoxyphenyl)ethyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[2-(4-ethoxyphenyl)ethyl]quinazoline-4,6-diamine is CCOc1ccc(CCNc2ncnc3ccc(N)cc23)cc1.
What is the InChIKey of 4-N-[2-(4-ethoxyphenyl)ethyl]quinazoline-4,6-diamine?
The InChIKey is AVVJBDXGPHLCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-23-15-6-3-13(4-7-15)9-10-20-18-16-11-14(19)5-8-17(16)21-12-22-18/h3-8,11-12H,2,9-10,19H2,1H3,(H,20,21,22).
What are the key properties of 4-N-[2-(4-ethoxyphenyl)ethyl]quinazoline-4,6-diamine?
4-N-[2-(4-ethoxyphenyl)ethyl]quinazoline-4,6-diamine has a molecular weight of 308.39 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-ethoxyphenyl)ethyl]quinazoline-4,6-diamine is sourced from PubChem (CID 509561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).