6,7-dimethoxy-N-phenylquinazolin-4-amine

C16H15N3O2 — CID 3798

IUPAC6,7-dimethoxy-N-phenylquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccccc3)c2cc1OC
InChIInChI=1S/C16H15N3O2/c1-20-14-8-12-13(9-15(14)21-2)17-10-18-16(12)19-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18,19)
InChIKeyMJKCGAHOCZLYDG-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.39
Rot. Bonds4

About 6,7-dimethoxy-N-phenylquinazolin-4-amine

6,7-dimethoxy-N-phenylquinazolin-4-amine (PubChem CID 3798) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 6,7-dimethoxy-N-phenylquinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-phenylquinazolin-4-amine
PubChem CID3798
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name6,7-dimethoxy-N-phenylquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccccc3)c2cc1OC
InChIInChI=1S/C16H15N3O2/c1-20-14-8-12-13(9-15(14)21-2)17-10-18-16(12)19-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18,19)
InChIKeyMJKCGAHOCZLYDG-UHFFFAOYSA-N
XLogP3.39
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-phenylquinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-phenylquinazolin-4-amine (CID 3798) is 6,7-dimethoxy-N-phenylquinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-phenylquinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-phenylquinazolin-4-amine is COc1cc2ncnc(Nc3ccccc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-phenylquinazolin-4-amine?
The InChIKey is MJKCGAHOCZLYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-20-14-8-12-13(9-15(14)21-2)17-10-18-16(12)19-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18,19).
What are the key properties of 6,7-dimethoxy-N-phenylquinazolin-4-amine?
6,7-dimethoxy-N-phenylquinazolin-4-amine has a molecular weight of 281.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-phenylquinazolin-4-amine is sourced from PubChem (CID 3798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).