N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1H-pyrazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-2-yl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-3-yl)quinazolin-4-amine;N-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]-1,2-oxazol-3-amine

C122H158F10N30O11 — CID 163723830

About N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1H-pyrazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-2-yl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-3-yl)quinazolin-4-amine;N-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]-1,2-oxazol-3-amine

N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1H-pyrazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-2-yl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-3-yl)quinazolin-4-amine;N-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]-1,2-oxazol-3-amine (PubChem CID 163723830) has the molecular formula C122H158F10N30O11 and a molecular weight of 2410.78 g/mol. Its IUPAC name is N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1H-pyrazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-2-yl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-3-yl)quinazolin-4-amine;N-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]-1,2-oxazol-3-amine.

Molecular Properties

• Compound Name: N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1H-pyrazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-2-yl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-3-yl)quinazolin-4-amine;N-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]-1,2-oxazol-3-amine
• PubChem CID: 163723830
• Molecular Formula: C122H158F10N30O11
• Molecular Weight: 2410.78 g/mol
• Exact Mass: 2409.26
• IUPAC Name: N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1H-pyrazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-2-yl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-3-yl)quinazolin-4-amine;N-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]-1,2-oxazol-3-amine
• SMILES: COc1cc2c(NC3CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(Nc3cc[nH]c3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(Nc3ccc[nH]3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(Nc3ccn[nH]3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(Nc3ccon3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1
• InChI: InChI=1S/2C25H32F2N6O2.C24H31F2N7O2.C24H30F2N6O3.C24H33F2N5O2/c1-34-21-15-19-20(16-22(21)35-14-4-11-32-9-2-3-10-32)30-24(33-12-6-25(26,27)7-13-33)31-23(19)29-18-5-8-28-17-18;1-34-20-16-18-19(17-21(20)35-15-5-12-32-10-2-3-11-32)29-24(33-13-7-25(26,27)8-14-33)31-23(18)30-22-6-4-9-28-22;1-34-19-15-17-18(16-20(19)35-14-4-11-32-9-2-3-10-32)28-23(33-12-6-24(25,26)7-13-33)30-22(17)29-21-5-8-27-31-21;1-33-19-15-17-18(16-20(19)34-13-4-10-31-8-2-3-9-31)27-23(32-11-6-24(25,26)7-12-32)29-22(17)28-21-5-14-35-30-21;1-32-20-15-18-19(16-21(20)33-14-4-11-30-9-2-3-10-30)28-23(29-22(18)27-17-5-6-17)31-12-7-24(25,26)8-13-31/h5,8,15-17,28H,2-4,6-7,9-14H2,1H3,(H,29,30,31);4,6,9,16-17,28H,2-3,5,7-8,10-15H2,1H3,(H,29,30,31);5,8,15-16H,2-4,6-7,9-14H2,1H3,(H2,27,28,29,30,31);5,14-16H,2-4,6-13H2,1H3,(H,27,28,29,30);15-17H,2-14H2,1H3,(H,27,28,29)
• InChIKey: KTXFXZJKDVCBRL-UHFFFAOYSA-N
• XLogP: 22.61
• TPSA: 400.04 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 45
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2410.78
LogP ≤ 5	22.61
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1H-pyrazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-2-yl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-3-yl)quinazolin-4-amine;N-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]-1,2-oxazol-3-amine?

The IUPAC name of N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1H-pyrazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-2-yl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-3-yl)quinazolin-4-amine;N-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]-1,2-oxazol-3-amine (CID 163723830) is N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1H-pyrazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-2-yl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-3-yl)quinazolin-4-amine;N-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]-1,2-oxazol-3-amine.

What is the SMILES notation for N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1H-pyrazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-2-yl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-3-yl)quinazolin-4-amine;N-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]-1,2-oxazol-3-amine?

The canonical SMILES for N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1H-pyrazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-2-yl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-3-yl)quinazolin-4-amine;N-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]-1,2-oxazol-3-amine is COc1cc2c(NC3CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(Nc3cc[nH]c3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(Nc3ccc[nH]3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(Nc3ccn[nH]3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(Nc3ccon3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.

What is the InChIKey of N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1H-pyrazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-2-yl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-3-yl)quinazolin-4-amine;N-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]-1,2-oxazol-3-amine?

The InChIKey is KTXFXZJKDVCBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H32F2N6O2.C24H31F2N7O2.C24H30F2N6O3.C24H33F2N5O2/c1-34-21-15-19-20(16-22(21)35-14-4-11-32-9-2-3-10-32)30-24(33-12-6-25(26,27)7-13-33)31-23(19)29-18-5-8-28-17-18;1-34-20-16-18-19(17-21(20)35-15-5-12-32-10-2-3-11-32)29-24(33-13-7-25(26,27)8-14-33)31-23(18)30-22-6-4-9-28-22;1-34-19-15-17-18(16-20(19)35-14-4-11-32-9-2-3-10-32)28-23(33-12-6-24(25,26)7-13-33)30-22(17)29-21-5-8-27-31-21;1-33-19-15-17-18(16-20(19)34-13-4-10-31-8-2-3-9-31)27-23(32-11-6-24(25,26)7-12-32)29-22(17)28-21-5-14-35-30-21;1-32-20-15-18-19(16-21(20)33-14-4-11-30-9-2-3-10-30)28-23(29-22(18)27-17-5-6-17)31-12-7-24(25,26)8-13-31/h5,8,15-17,28H,2-4,6-7,9-14H2,1H3,(H,29,30,31);4,6,9,16-17,28H,2-3,5,7-8,10-15H2,1H3,(H,29,30,31);5,8,15-16H,2-4,6-7,9-14H2,1H3,(H2,27,28,29,30,31);5,14-16H,2-4,6-13H2,1H3,(H,27,28,29,30);15-17H,2-14H2,1H3,(H,27,28,29).

What are the key properties of N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1H-pyrazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-2-yl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-3-yl)quinazolin-4-amine;N-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]-1,2-oxazol-3-amine?

N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1H-pyrazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-2-yl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-3-yl)quinazolin-4-amine;N-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]-1,2-oxazol-3-amine has a molecular weight of 2410.78 g/mol, XLogP of 22.61, 45 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1H-pyrazol-5-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-2-yl)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(1H-pyrrol-3-yl)quinazolin-4-amine;N-[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]-1,2-oxazol-3-amine is sourced from PubChem (CID 163723830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).