8-(2,3-dimethylphenyl)-5-methoxyquinazolin-4-amine

C17H17N3O — CID 178009641

IUPAC8-(2,3-dimethylphenyl)-5-methoxyquinazolin-4-amine
SMILESCOc1ccc(-c2cccc(C)c2C)c2ncnc(N)c12
InChIInChI=1S/C17H17N3O/c1-10-5-4-6-12(11(10)2)13-7-8-14(21-3)15-16(13)19-9-20-17(15)18/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyWNRCQBOVZCNZBV-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.50
Rot. Bonds2

About 8-(2,3-dimethylphenyl)-5-methoxyquinazolin-4-amine

8-(2,3-dimethylphenyl)-5-methoxyquinazolin-4-amine (PubChem CID 178009641) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 8-(2,3-dimethylphenyl)-5-methoxyquinazolin-4-amine.

Molecular Properties

Compound Name8-(2,3-dimethylphenyl)-5-methoxyquinazolin-4-amine
PubChem CID178009641
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name8-(2,3-dimethylphenyl)-5-methoxyquinazolin-4-amine
SMILESCOc1ccc(-c2cccc(C)c2C)c2ncnc(N)c12
InChIInChI=1S/C17H17N3O/c1-10-5-4-6-12(11(10)2)13-7-8-14(21-3)15-16(13)19-9-20-17(15)18/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyWNRCQBOVZCNZBV-UHFFFAOYSA-N
XLogP3.50
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dimethylphenyl)-5-methoxyquinazolin-4-amine?
The IUPAC name of 8-(2,3-dimethylphenyl)-5-methoxyquinazolin-4-amine (CID 178009641) is 8-(2,3-dimethylphenyl)-5-methoxyquinazolin-4-amine.
What is the SMILES notation for 8-(2,3-dimethylphenyl)-5-methoxyquinazolin-4-amine?
The canonical SMILES for 8-(2,3-dimethylphenyl)-5-methoxyquinazolin-4-amine is COc1ccc(-c2cccc(C)c2C)c2ncnc(N)c12.
What is the InChIKey of 8-(2,3-dimethylphenyl)-5-methoxyquinazolin-4-amine?
The InChIKey is WNRCQBOVZCNZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-10-5-4-6-12(11(10)2)13-7-8-14(21-3)15-16(13)19-9-20-17(15)18/h4-9H,1-3H3,(H2,18,19,20).
What are the key properties of 8-(2,3-dimethylphenyl)-5-methoxyquinazolin-4-amine?
8-(2,3-dimethylphenyl)-5-methoxyquinazolin-4-amine has a molecular weight of 279.34 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dimethylphenyl)-5-methoxyquinazolin-4-amine is sourced from PubChem (CID 178009641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).