6,7-dimethoxy-N-[(5-methylfuran-2-yl)methyl]quinazolin-4-amine

C16H17N3O3 — CID 1490274

IUPAC6,7-dimethoxy-N-[(5-methylfuran-2-yl)methyl]quinazolin-4-amine
SMILESCOc1cc2ncnc(NCc3ccc(C)o3)c2cc1OC
InChIInChI=1S/C16H17N3O3/c1-10-4-5-11(22-10)8-17-16-12-6-14(20-2)15(21-3)7-13(12)18-9-19-16/h4-7,9H,8H2,1-3H3,(H,17,18,19)
InChIKeyXSRFKJNZJMYEFT-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.16
Rot. Bonds5

About 6,7-dimethoxy-N-[(5-methylfuran-2-yl)methyl]quinazolin-4-amine

6,7-dimethoxy-N-[(5-methylfuran-2-yl)methyl]quinazolin-4-amine (PubChem CID 1490274) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 6,7-dimethoxy-N-[(5-methylfuran-2-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-[(5-methylfuran-2-yl)methyl]quinazolin-4-amine
PubChem CID1490274
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name6,7-dimethoxy-N-[(5-methylfuran-2-yl)methyl]quinazolin-4-amine
SMILESCOc1cc2ncnc(NCc3ccc(C)o3)c2cc1OC
InChIInChI=1S/C16H17N3O3/c1-10-4-5-11(22-10)8-17-16-12-6-14(20-2)15(21-3)7-13(12)18-9-19-16/h4-7,9H,8H2,1-3H3,(H,17,18,19)
InChIKeyXSRFKJNZJMYEFT-UHFFFAOYSA-N
XLogP3.16
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-[(5-methylfuran-2-yl)methyl]quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-[(5-methylfuran-2-yl)methyl]quinazolin-4-amine (CID 1490274) is 6,7-dimethoxy-N-[(5-methylfuran-2-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-[(5-methylfuran-2-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-[(5-methylfuran-2-yl)methyl]quinazolin-4-amine is COc1cc2ncnc(NCc3ccc(C)o3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-[(5-methylfuran-2-yl)methyl]quinazolin-4-amine?
The InChIKey is XSRFKJNZJMYEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10-4-5-11(22-10)8-17-16-12-6-14(20-2)15(21-3)7-13(12)18-9-19-16/h4-7,9H,8H2,1-3H3,(H,17,18,19).
What are the key properties of 6,7-dimethoxy-N-[(5-methylfuran-2-yl)methyl]quinazolin-4-amine?
6,7-dimethoxy-N-[(5-methylfuran-2-yl)methyl]quinazolin-4-amine has a molecular weight of 299.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-[(5-methylfuran-2-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 1490274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).