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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Related Compounds

6-(2,3-dimethoxyphenyl)-5-methoxypyrimidin-4-amine
CID 82794447
3-(2,3-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905255
8-methoxy-5-(2-methylphenyl)quinoxalin-2-amine
CID 155269576
6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80863928
2-(2,3-dimethylphenyl)-3-methoxypyridine
CID 90122574
[2-(2,3-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine
CID 62548525
8-methoxy-4,5-dimethylquinazoline
CID 142290998
6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541866
8-(5-chloro-4-methyl-3-pyridinyl)-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]quinazolin-4-amine
CID 178009496
1-methoxy-8-(8-methylnaphthalen-1-yl)naphthalene
CID 123360792
2-(2-methoxyphenyl)-8-methylquinazolin-4-amine
CID 64983688
3-(3-chloro-2,4-dimethoxyphenyl)-2-methylaniline
CID 107627279

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).