N-(4-ethoxyphenyl)-N,2-dimethylquinazolin-4-amine

C18H19N3O — CID 11254861

IUPACN-(4-ethoxyphenyl)-N,2-dimethylquinazolin-4-amine
SMILESCCOc1ccc(N(C)c2nc(C)nc3ccccc23)cc1
InChIInChI=1S/C18H19N3O/c1-4-22-15-11-9-14(10-12-15)21(3)18-16-7-5-6-8-17(16)19-13(2)20-18/h5-12H,4H2,1-3H3
InChIKeyXIKQWUWGAHSPNN-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.10
Rot. Bonds4

About N-(4-ethoxyphenyl)-N,2-dimethylquinazolin-4-amine

N-(4-ethoxyphenyl)-N,2-dimethylquinazolin-4-amine (PubChem CID 11254861) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N,2-dimethylquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N,2-dimethylquinazolin-4-amine
PubChem CID11254861
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-(4-ethoxyphenyl)-N,2-dimethylquinazolin-4-amine
SMILESCCOc1ccc(N(C)c2nc(C)nc3ccccc23)cc1
InChIInChI=1S/C18H19N3O/c1-4-22-15-11-9-14(10-12-15)21(3)18-16-7-5-6-8-17(16)19-13(2)20-18/h5-12H,4H2,1-3H3
InChIKeyXIKQWUWGAHSPNN-UHFFFAOYSA-N
XLogP4.10
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N,2-dimethylquinazolin-4-amine?
The IUPAC name of N-(4-ethoxyphenyl)-N,2-dimethylquinazolin-4-amine (CID 11254861) is N-(4-ethoxyphenyl)-N,2-dimethylquinazolin-4-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-N,2-dimethylquinazolin-4-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-N,2-dimethylquinazolin-4-amine is CCOc1ccc(N(C)c2nc(C)nc3ccccc23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N,2-dimethylquinazolin-4-amine?
The InChIKey is XIKQWUWGAHSPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-4-22-15-11-9-14(10-12-15)21(3)18-16-7-5-6-8-17(16)19-13(2)20-18/h5-12H,4H2,1-3H3.
What are the key properties of N-(4-ethoxyphenyl)-N,2-dimethylquinazolin-4-amine?
N-(4-ethoxyphenyl)-N,2-dimethylquinazolin-4-amine has a molecular weight of 293.37 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N,2-dimethylquinazolin-4-amine is sourced from PubChem (CID 11254861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).