6,7-dimethoxy-4-(2-methylphenyl)quinazolin-2-amine

C17H17N3O2 — CID 70192475

IUPAC6,7-dimethoxy-4-(2-methylphenyl)quinazolin-2-amine
SMILESCOc1cc2nc(N)nc(-c3ccccc3C)c2cc1OC
InChIInChI=1S/C17H17N3O2/c1-10-6-4-5-7-11(10)16-12-8-14(21-2)15(22-3)9-13(12)19-17(18)20-16/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyVCPKFTGNZOGERL-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.20
Rot. Bonds3

About 6,7-dimethoxy-4-(2-methylphenyl)quinazolin-2-amine

6,7-dimethoxy-4-(2-methylphenyl)quinazolin-2-amine (PubChem CID 70192475) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(2-methylphenyl)quinazolin-2-amine.

Molecular Properties

Compound Name6,7-dimethoxy-4-(2-methylphenyl)quinazolin-2-amine
PubChem CID70192475
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name6,7-dimethoxy-4-(2-methylphenyl)quinazolin-2-amine
SMILESCOc1cc2nc(N)nc(-c3ccccc3C)c2cc1OC
InChIInChI=1S/C17H17N3O2/c1-10-6-4-5-7-11(10)16-12-8-14(21-2)15(22-3)9-13(12)19-17(18)20-16/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyVCPKFTGNZOGERL-UHFFFAOYSA-N
XLogP3.20
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(2-methylphenyl)quinazolin-2-amine?
The IUPAC name of 6,7-dimethoxy-4-(2-methylphenyl)quinazolin-2-amine (CID 70192475) is 6,7-dimethoxy-4-(2-methylphenyl)quinazolin-2-amine.
What is the SMILES notation for 6,7-dimethoxy-4-(2-methylphenyl)quinazolin-2-amine?
The canonical SMILES for 6,7-dimethoxy-4-(2-methylphenyl)quinazolin-2-amine is COc1cc2nc(N)nc(-c3ccccc3C)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-(2-methylphenyl)quinazolin-2-amine?
The InChIKey is VCPKFTGNZOGERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-10-6-4-5-7-11(10)16-12-8-14(21-2)15(22-3)9-13(12)19-17(18)20-16/h4-9H,1-3H3,(H2,18,19,20).
What are the key properties of 6,7-dimethoxy-4-(2-methylphenyl)quinazolin-2-amine?
6,7-dimethoxy-4-(2-methylphenyl)quinazolin-2-amine has a molecular weight of 295.34 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(2-methylphenyl)quinazolin-2-amine is sourced from PubChem (CID 70192475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).