2-(4-ethylphenyl)-N,8-dimethylquinazolin-4-amine

C18H19N3 — CID 64981181

IUPAC2-(4-ethylphenyl)-N,8-dimethylquinazolin-4-amine
SMILESCCc1ccc(-c2nc(NC)c3cccc(C)c3n2)cc1
InChIInChI=1S/C18H19N3/c1-4-13-8-10-14(11-9-13)17-20-16-12(2)6-5-7-15(16)18(19-3)21-17/h5-11H,4H2,1-3H3,(H,19,20,21)
InChIKeyWTEJTXANAHFFMP-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.21
Rot. Bonds3

About 2-(4-ethylphenyl)-N,8-dimethylquinazolin-4-amine

2-(4-ethylphenyl)-N,8-dimethylquinazolin-4-amine (PubChem CID 64981181) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N,8-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N,8-dimethylquinazolin-4-amine
PubChem CID64981181
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-(4-ethylphenyl)-N,8-dimethylquinazolin-4-amine
SMILESCCc1ccc(-c2nc(NC)c3cccc(C)c3n2)cc1
InChIInChI=1S/C18H19N3/c1-4-13-8-10-14(11-9-13)17-20-16-12(2)6-5-7-15(16)18(19-3)21-17/h5-11H,4H2,1-3H3,(H,19,20,21)
InChIKeyWTEJTXANAHFFMP-UHFFFAOYSA-N
XLogP4.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.21
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,8-dimethylquinazolin-4-amine?
The IUPAC name of 2-(4-ethylphenyl)-N,8-dimethylquinazolin-4-amine (CID 64981181) is 2-(4-ethylphenyl)-N,8-dimethylquinazolin-4-amine.
What is the SMILES notation for 2-(4-ethylphenyl)-N,8-dimethylquinazolin-4-amine?
The canonical SMILES for 2-(4-ethylphenyl)-N,8-dimethylquinazolin-4-amine is CCc1ccc(-c2nc(NC)c3cccc(C)c3n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N,8-dimethylquinazolin-4-amine?
The InChIKey is WTEJTXANAHFFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-4-13-8-10-14(11-9-13)17-20-16-12(2)6-5-7-15(16)18(19-3)21-17/h5-11H,4H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(4-ethylphenyl)-N,8-dimethylquinazolin-4-amine?
2-(4-ethylphenyl)-N,8-dimethylquinazolin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 4.21, 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,8-dimethylquinazolin-4-amine is sourced from PubChem (CID 64981181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).