N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

C127H168N24O23S6 — CID 163857286

About N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine (PubChem CID 163857286) has the molecular formula C127H168N24O23S6 and a molecular weight of 2591.29 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine.

Molecular Properties

• Compound Name: N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
• PubChem CID: 163857286
• Molecular Formula: C127H168N24O23S6
• Molecular Weight: 2591.29 g/mol
• Exact Mass: 2589.10
• IUPAC Name: N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
• SMILES: COc1cc2c(NC3CCS(=O)(=O)CC3)nc(-c3ccc(C)[nH]3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCS(=O)(=O)CC3)nc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCS(=O)(=O)CC3)nc(-c3cnc(C)o3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCS(=O)(=O)CC3)nc(-c3ncc(C)o3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCS(=O)(=O)CC3)nc(-c3ncc(C)s3)nc2cc1OCCCN1CCCC1
• InChI: InChI=1S/C26H35N5O4S.C26H34N4O5S.2C25H33N5O5S.C25H33N5O4S2/c1-18-6-7-21(27-18)26-29-22-17-24(35-13-5-12-31-10-3-4-11-31)23(34-2)16-20(22)25(30-26)28-19-8-14-36(32,33)15-9-19;1-18-6-7-22(35-18)26-28-21-17-24(34-13-5-12-30-10-3-4-11-30)23(33-2)16-20(21)25(29-26)27-19-8-14-36(31,32)15-9-19;1-17-26-16-23(35-17)25-28-20-15-22(34-11-5-10-30-8-3-4-9-30)21(33-2)14-19(20)24(29-25)27-18-6-12-36(31,32)13-7-18;2*1-17-16-26-25(35-17)24-28-20-15-22(34-11-5-10-30-8-3-4-9-30)21(33-2)14-19(20)23(29-24)27-18-6-12-36(31,32)13-7-18/h6-7,16-17,19,27H,3-5,8-15H2,1-2H3,(H,28,29,30);6-7,16-17,19H,3-5,8-15H2,1-2H3,(H,27,28,29);3*14-16,18H,3-13H2,1-2H3,(H,27,28,29)
• InChIKey: OZJWLQSLRGLJLD-UHFFFAOYSA-N
• XLogP: 18.69
• TPSA: 562.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 47
• Rotatable Bonds: 45
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2591.29
LogP ≤ 5	18.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?

The IUPAC name of N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine (CID 163857286) is N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine.

What is the SMILES notation for N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?

The canonical SMILES for N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine is COc1cc2c(NC3CCS(=O)(=O)CC3)nc(-c3ccc(C)[nH]3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCS(=O)(=O)CC3)nc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCS(=O)(=O)CC3)nc(-c3cnc(C)o3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCS(=O)(=O)CC3)nc(-c3ncc(C)o3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCS(=O)(=O)CC3)nc(-c3ncc(C)s3)nc2cc1OCCCN1CCCC1.

What is the InChIKey of N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?

The InChIKey is OZJWLQSLRGLJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O4S.C26H34N4O5S.2C25H33N5O5S.C25H33N5O4S2/c1-18-6-7-21(27-18)26-29-22-17-24(35-13-5-12-31-10-3-4-11-31)23(34-2)16-20(22)25(30-26)28-19-8-14-36(32,33)15-9-19;1-18-6-7-22(35-18)26-28-21-17-24(34-13-5-12-30-10-3-4-11-30)23(33-2)16-20(21)25(29-26)27-19-8-14-36(31,32)15-9-19;1-17-26-16-23(35-17)25-28-20-15-22(34-11-5-10-30-8-3-4-9-30)21(33-2)14-19(20)24(29-25)27-18-6-12-36(31,32)13-7-18;2*1-17-16-26-25(35-17)24-28-20-15-22(34-11-5-10-30-8-3-4-9-30)21(33-2)14-19(20)23(29-24)27-18-6-12-36(31,32)13-7-18/h6-7,16-17,19,27H,3-5,8-15H2,1-2H3,(H,28,29,30);6-7,16-17,19H,3-5,8-15H2,1-2H3,(H,27,28,29);3*14-16,18H,3-13H2,1-2H3,(H,27,28,29).

What are the key properties of N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?

N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine has a molecular weight of 2591.29 g/mol, XLogP of 18.69, 45 rotatable bonds, 6 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-(1,1-dioxothian-4-yl)-6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine is sourced from PubChem (CID 163857286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).