2-cyclopentyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-ethyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-4-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine

C120H169N23O15S2 — CID 163861202

About 2-cyclopentyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-ethyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-4-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine

2-cyclopentyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-ethyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-4-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine (PubChem CID 163861202) has the molecular formula C120H169N23O15S2 and a molecular weight of 2237.95 g/mol. Its IUPAC name is 2-cyclopentyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-ethyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-4-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine.

Molecular Properties

• Compound Name: 2-cyclopentyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-ethyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-4-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine
• PubChem CID: 163861202
• Molecular Formula: C120H169N23O15S2
• Molecular Weight: 2237.95 g/mol
• Exact Mass: 2236.26
• IUPAC Name: 2-cyclopentyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-ethyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-4-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine
• SMILES: CCc1nc(NC2CCOCC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1.COc1cc2c(NC3CCOCC3)nc(-c3cnc(C)s3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCOCC3)nc(-c3ncc(C)s3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCOCC3)nc(C3CCCC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCOCC3)nc(N)nc2cc1OCCCN1CCCC1
• InChI: InChI=1S/C26H38N4O3.2C25H33N5O3S.C23H34N4O3.C21H31N5O3/c1-31-23-17-21-22(18-24(23)33-14-6-13-30-11-4-5-12-30)28-25(19-7-2-3-8-19)29-26(21)27-20-9-15-32-16-10-20;1-17-26-16-23(34-17)25-28-20-15-22(33-11-5-10-30-8-3-4-9-30)21(31-2)14-19(20)24(29-25)27-18-6-12-32-13-7-18;1-17-16-26-25(34-17)24-28-20-15-22(33-11-5-10-30-8-3-4-9-30)21(31-2)14-19(20)23(29-24)27-18-6-12-32-13-7-18;1-3-22-25-19-16-21(30-12-6-11-27-9-4-5-10-27)20(28-2)15-18(19)23(26-22)24-17-7-13-29-14-8-17;1-27-18-13-16-17(14-19(18)29-10-4-9-26-7-2-3-8-26)24-21(22)25-20(16)23-15-5-11-28-12-6-15/h17-20H,2-16H2,1H3,(H,27,28,29);2*14-16,18H,3-13H2,1-2H3,(H,27,28,29);15-17H,3-14H2,1-2H3,(H,24,25,26);13-15H,2-12H2,1H3,(H3,22,23,24,25)
• InChIKey: PCRGMNUFSKYMAM-UHFFFAOYSA-N
• XLogP: 20.14
• TPSA: 395.50 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 44
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2237.95
LogP ≤ 5	20.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-ethyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-4-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine?

The IUPAC name of 2-cyclopentyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-ethyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-4-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine (CID 163861202) is 2-cyclopentyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-ethyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-4-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine.

What is the SMILES notation for 2-cyclopentyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-ethyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-4-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine?

The canonical SMILES for 2-cyclopentyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-ethyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-4-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine is CCc1nc(NC2CCOCC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1.COc1cc2c(NC3CCOCC3)nc(-c3cnc(C)s3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCOCC3)nc(-c3ncc(C)s3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCOCC3)nc(C3CCCC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCOCC3)nc(N)nc2cc1OCCCN1CCCC1.

What is the InChIKey of 2-cyclopentyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-ethyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-4-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine?

The InChIKey is PCRGMNUFSKYMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O3.2C25H33N5O3S.C23H34N4O3.C21H31N5O3/c1-31-23-17-21-22(18-24(23)33-14-6-13-30-11-4-5-12-30)28-25(19-7-2-3-8-19)29-26(21)27-20-9-15-32-16-10-20;1-17-26-16-23(34-17)25-28-20-15-22(33-11-5-10-30-8-3-4-9-30)21(31-2)14-19(20)24(29-25)27-18-6-12-32-13-7-18;1-17-16-26-25(34-17)24-28-20-15-22(33-11-5-10-30-8-3-4-9-30)21(31-2)14-19(20)23(29-24)27-18-6-12-32-13-7-18;1-3-22-25-19-16-21(30-12-6-11-27-9-4-5-10-27)20(28-2)15-18(19)23(26-22)24-17-7-13-29-14-8-17;1-27-18-13-16-17(14-19(18)29-10-4-9-26-7-2-3-8-26)24-21(22)25-20(16)23-15-5-11-28-12-6-15/h17-20H,2-16H2,1H3,(H,27,28,29);2*14-16,18H,3-13H2,1-2H3,(H,27,28,29);15-17H,3-14H2,1-2H3,(H,24,25,26);13-15H,2-12H2,1H3,(H3,22,23,24,25).

What are the key properties of 2-cyclopentyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-ethyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-4-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine?

2-cyclopentyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-ethyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-4-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine has a molecular weight of 2237.95 g/mol, XLogP of 20.14, 44 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-ethyl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-thiazol-2-yl)-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-4-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine is sourced from PubChem (CID 163861202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).