6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]quinazolin-4-amine

C29H24FN3O4 — CID 71072748

About 6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]quinazolin-4-amine

6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]quinazolin-4-amine (PubChem CID 71072748) has the molecular formula C29H24FN3O4 and a molecular weight of 497.53 g/mol. Its IUPAC name is 6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]quinazolin-4-amine.

Molecular Properties

• Compound Name: 6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]quinazolin-4-amine
• PubChem CID: 71072748
• Molecular Formula: C29H24FN3O4
• Molecular Weight: 497.53 g/mol
• Exact Mass: 497.18
• IUPAC Name: 6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]quinazolin-4-amine
• SMILES: Cc1cc(Nc2ncnc3ccc(-c4ccc(C5OCCO5)o4)cc23)ccc1OCc1cccc(F)c1
• InChI: InChI=1S/C29H24FN3O4/c1-18-13-22(6-8-25(18)36-16-19-3-2-4-21(30)14-19)33-28-23-15-20(5-7-24(23)31-17-32-28)26-9-10-27(37-26)29-34-11-12-35-29/h2-10,13-15,17,29H,11-12,16H2,1H3,(H,31,32,33)
• InChIKey: INUBZZWDBSXPIA-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 78.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.53
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]quinazolin-4-amine?

The IUPAC name of 6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]quinazolin-4-amine (CID 71072748) is 6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]quinazolin-4-amine.

What is the SMILES notation for 6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]quinazolin-4-amine?

The canonical SMILES for 6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]quinazolin-4-amine is Cc1cc(Nc2ncnc3ccc(-c4ccc(C5OCCO5)o4)cc23)ccc1OCc1cccc(F)c1.

What is the InChIKey of 6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]quinazolin-4-amine?

The InChIKey is INUBZZWDBSXPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN3O4/c1-18-13-22(6-8-25(18)36-16-19-3-2-4-21(30)14-19)33-28-23-15-20(5-7-24(23)31-17-32-28)26-9-10-27(37-26)29-34-11-12-35-29/h2-10,13-15,17,29H,11-12,16H2,1H3,(H,31,32,33).

What are the key properties of 6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]quinazolin-4-amine?

6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]quinazolin-4-amine has a molecular weight of 497.53 g/mol, XLogP of 6.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(1,3-dioxolan-2-yl)furan-2-yl]-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]quinazolin-4-amine is sourced from PubChem (CID 71072748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).