2-(4-ethylphenyl)-N-methylquinazolin-4-amine

C17H17N3 — CID 63500302

IUPAC2-(4-ethylphenyl)-N-methylquinazolin-4-amine
SMILESCCc1ccc(-c2nc(NC)c3ccccc3n2)cc1
InChIInChI=1S/C17H17N3/c1-3-12-8-10-13(11-9-12)16-19-15-7-5-4-6-14(15)17(18-2)20-16/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKeyJSYQVTJJYWFBNY-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.90
Rot. Bonds3

About 2-(4-ethylphenyl)-N-methylquinazolin-4-amine

2-(4-ethylphenyl)-N-methylquinazolin-4-amine (PubChem CID 63500302) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N-methylquinazolin-4-amine
PubChem CID63500302
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-(4-ethylphenyl)-N-methylquinazolin-4-amine
SMILESCCc1ccc(-c2nc(NC)c3ccccc3n2)cc1
InChIInChI=1S/C17H17N3/c1-3-12-8-10-13(11-9-12)16-19-15-7-5-4-6-14(15)17(18-2)20-16/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKeyJSYQVTJJYWFBNY-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N-methylquinazolin-4-amine?
The IUPAC name of 2-(4-ethylphenyl)-N-methylquinazolin-4-amine (CID 63500302) is 2-(4-ethylphenyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-(4-ethylphenyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 2-(4-ethylphenyl)-N-methylquinazolin-4-amine is CCc1ccc(-c2nc(NC)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N-methylquinazolin-4-amine?
The InChIKey is JSYQVTJJYWFBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-3-12-8-10-13(11-9-12)16-19-15-7-5-4-6-14(15)17(18-2)20-16/h4-11H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(4-ethylphenyl)-N-methylquinazolin-4-amine?
2-(4-ethylphenyl)-N-methylquinazolin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 63500302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).