4-(2,4-dimethylphenoxy)-N-methylquinazolin-2-amine

C17H17N3O — CID 80866027

IUPAC4-(2,4-dimethylphenoxy)-N-methylquinazolin-2-amine
SMILESCNc1nc(Oc2ccc(C)cc2C)c2ccccc2n1
InChIInChI=1S/C17H17N3O/c1-11-8-9-15(12(2)10-11)21-16-13-6-4-5-7-14(13)19-17(18-3)20-16/h4-10H,1-3H3,(H,18,19,20)
InChIKeyCHBFOQQWHADAKS-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.08
Rot. Bonds3

About 4-(2,4-dimethylphenoxy)-N-methylquinazolin-2-amine

4-(2,4-dimethylphenoxy)-N-methylquinazolin-2-amine (PubChem CID 80866027) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-(2,4-dimethylphenoxy)-N-methylquinazolin-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethylphenoxy)-N-methylquinazolin-2-amine
PubChem CID80866027
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-(2,4-dimethylphenoxy)-N-methylquinazolin-2-amine
SMILESCNc1nc(Oc2ccc(C)cc2C)c2ccccc2n1
InChIInChI=1S/C17H17N3O/c1-11-8-9-15(12(2)10-11)21-16-13-6-4-5-7-14(13)19-17(18-3)20-16/h4-10H,1-3H3,(H,18,19,20)
InChIKeyCHBFOQQWHADAKS-UHFFFAOYSA-N
XLogP4.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenoxy)-N-methylquinazolin-2-amine?
The IUPAC name of 4-(2,4-dimethylphenoxy)-N-methylquinazolin-2-amine (CID 80866027) is 4-(2,4-dimethylphenoxy)-N-methylquinazolin-2-amine.
What is the SMILES notation for 4-(2,4-dimethylphenoxy)-N-methylquinazolin-2-amine?
The canonical SMILES for 4-(2,4-dimethylphenoxy)-N-methylquinazolin-2-amine is CNc1nc(Oc2ccc(C)cc2C)c2ccccc2n1.
What is the InChIKey of 4-(2,4-dimethylphenoxy)-N-methylquinazolin-2-amine?
The InChIKey is CHBFOQQWHADAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-8-9-15(12(2)10-11)21-16-13-6-4-5-7-14(13)19-17(18-3)20-16/h4-10H,1-3H3,(H,18,19,20).
What are the key properties of 4-(2,4-dimethylphenoxy)-N-methylquinazolin-2-amine?
4-(2,4-dimethylphenoxy)-N-methylquinazolin-2-amine has a molecular weight of 279.34 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenoxy)-N-methylquinazolin-2-amine is sourced from PubChem (CID 80866027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).