2-(3-methoxyphenyl)-7-methylquinazolin-4-amine

C16H15N3O — CID 71193032

IUPAC2-(3-methoxyphenyl)-7-methylquinazolin-4-amine
SMILESCOc1cccc(-c2nc(N)c3ccc(C)cc3n2)c1
InChIInChI=1S/C16H15N3O/c1-10-6-7-13-14(8-10)18-16(19-15(13)17)11-4-3-5-12(9-11)20-2/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyZQGVDSDSYYCBKI-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.20
Rot. Bonds2

About 2-(3-methoxyphenyl)-7-methylquinazolin-4-amine

2-(3-methoxyphenyl)-7-methylquinazolin-4-amine (PubChem CID 71193032) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-7-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-7-methylquinazolin-4-amine
PubChem CID71193032
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-(3-methoxyphenyl)-7-methylquinazolin-4-amine
SMILESCOc1cccc(-c2nc(N)c3ccc(C)cc3n2)c1
InChIInChI=1S/C16H15N3O/c1-10-6-7-13-14(8-10)18-16(19-15(13)17)11-4-3-5-12(9-11)20-2/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyZQGVDSDSYYCBKI-UHFFFAOYSA-N
XLogP3.20
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-7-methylquinazolin-4-amine?
The IUPAC name of 2-(3-methoxyphenyl)-7-methylquinazolin-4-amine (CID 71193032) is 2-(3-methoxyphenyl)-7-methylquinazolin-4-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)-7-methylquinazolin-4-amine?
The canonical SMILES for 2-(3-methoxyphenyl)-7-methylquinazolin-4-amine is COc1cccc(-c2nc(N)c3ccc(C)cc3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-7-methylquinazolin-4-amine?
The InChIKey is ZQGVDSDSYYCBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-6-7-13-14(8-10)18-16(19-15(13)17)11-4-3-5-12(9-11)20-2/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 2-(3-methoxyphenyl)-7-methylquinazolin-4-amine?
2-(3-methoxyphenyl)-7-methylquinazolin-4-amine has a molecular weight of 265.32 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-7-methylquinazolin-4-amine is sourced from PubChem (CID 71193032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).