2-(4-ethoxy-8-methylquinazolin-2-yl)ethanimidamide

C13H16N4O — CID 53468450

IUPAC2-(4-ethoxy-8-methylquinazolin-2-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1nc(OCC)c2cccc(C)c2n1
InChIInChI=1S/C13H16N4O/c1-3-18-13-9-6-4-5-8(2)12(9)16-11(17-13)7-10(14)15/h4-6H,3,7H2,1-2H3,(H3,14,15)
InChIKeyQWZSWJUDJNICFX-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.82
Rot. Bonds4

About 2-(4-ethoxy-8-methylquinazolin-2-yl)ethanimidamide

2-(4-ethoxy-8-methylquinazolin-2-yl)ethanimidamide (PubChem CID 53468450) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(4-ethoxy-8-methylquinazolin-2-yl)ethanimidamide.

Molecular Properties

Compound Name2-(4-ethoxy-8-methylquinazolin-2-yl)ethanimidamide
PubChem CID53468450
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-(4-ethoxy-8-methylquinazolin-2-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1nc(OCC)c2cccc(C)c2n1
InChIInChI=1S/C13H16N4O/c1-3-18-13-9-6-4-5-8(2)12(9)16-11(17-13)7-10(14)15/h4-6H,3,7H2,1-2H3,(H3,14,15)
InChIKeyQWZSWJUDJNICFX-UHFFFAOYSA-N
XLogP1.82
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-8-methylquinazolin-2-yl)ethanimidamide?
The IUPAC name of 2-(4-ethoxy-8-methylquinazolin-2-yl)ethanimidamide (CID 53468450) is 2-(4-ethoxy-8-methylquinazolin-2-yl)ethanimidamide.
What is the SMILES notation for 2-(4-ethoxy-8-methylquinazolin-2-yl)ethanimidamide?
The canonical SMILES for 2-(4-ethoxy-8-methylquinazolin-2-yl)ethanimidamide is [H]/N=C(\N)Cc1nc(OCC)c2cccc(C)c2n1.
What is the InChIKey of 2-(4-ethoxy-8-methylquinazolin-2-yl)ethanimidamide?
The InChIKey is QWZSWJUDJNICFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-18-13-9-6-4-5-8(2)12(9)16-11(17-13)7-10(14)15/h4-6H,3,7H2,1-2H3,(H3,14,15).
What are the key properties of 2-(4-ethoxy-8-methylquinazolin-2-yl)ethanimidamide?
2-(4-ethoxy-8-methylquinazolin-2-yl)ethanimidamide has a molecular weight of 244.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-8-methylquinazolin-2-yl)ethanimidamide is sourced from PubChem (CID 53468450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).