2-(5-chloro-2-methylphenyl)-6-methoxyquinazolin-4-amine

C16H14ClN3O — CID 82875655

IUPAC2-(5-chloro-2-methylphenyl)-6-methoxyquinazolin-4-amine
SMILESCOc1ccc2nc(-c3cc(Cl)ccc3C)nc(N)c2c1
InChIInChI=1S/C16H14ClN3O/c1-9-3-4-10(17)7-12(9)16-19-14-6-5-11(21-2)8-13(14)15(18)20-16/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyXRMHOFJVMOIYRS-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.85
Rot. Bonds2

About 2-(5-chloro-2-methylphenyl)-6-methoxyquinazolin-4-amine

2-(5-chloro-2-methylphenyl)-6-methoxyquinazolin-4-amine (PubChem CID 82875655) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-(5-chloro-2-methylphenyl)-6-methoxyquinazolin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-2-methylphenyl)-6-methoxyquinazolin-4-amine
PubChem CID82875655
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name2-(5-chloro-2-methylphenyl)-6-methoxyquinazolin-4-amine
SMILESCOc1ccc2nc(-c3cc(Cl)ccc3C)nc(N)c2c1
InChIInChI=1S/C16H14ClN3O/c1-9-3-4-10(17)7-12(9)16-19-14-6-5-11(21-2)8-13(14)15(18)20-16/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyXRMHOFJVMOIYRS-UHFFFAOYSA-N
XLogP3.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylphenyl)-6-methoxyquinazolin-4-amine?
The IUPAC name of 2-(5-chloro-2-methylphenyl)-6-methoxyquinazolin-4-amine (CID 82875655) is 2-(5-chloro-2-methylphenyl)-6-methoxyquinazolin-4-amine.
What is the SMILES notation for 2-(5-chloro-2-methylphenyl)-6-methoxyquinazolin-4-amine?
The canonical SMILES for 2-(5-chloro-2-methylphenyl)-6-methoxyquinazolin-4-amine is COc1ccc2nc(-c3cc(Cl)ccc3C)nc(N)c2c1.
What is the InChIKey of 2-(5-chloro-2-methylphenyl)-6-methoxyquinazolin-4-amine?
The InChIKey is XRMHOFJVMOIYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-9-3-4-10(17)7-12(9)16-19-14-6-5-11(21-2)8-13(14)15(18)20-16/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 2-(5-chloro-2-methylphenyl)-6-methoxyquinazolin-4-amine?
2-(5-chloro-2-methylphenyl)-6-methoxyquinazolin-4-amine has a molecular weight of 299.76 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylphenyl)-6-methoxyquinazolin-4-amine is sourced from PubChem (CID 82875655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).