N-[2-(azetidin-3-yloxy)ethyl]-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-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;1-[4-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]piperidin-1-yl]ethanone

C134H196F10N28O14 — CID 163963124

About N-[2-(azetidin-3-yloxy)ethyl]-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-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;1-[4-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]piperidin-1-yl]ethanone

N-[2-(azetidin-3-yloxy)ethyl]-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-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;1-[4-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]piperidin-1-yl]ethanone (PubChem CID 163963124) has the molecular formula C134H196F10N28O14 and a molecular weight of 2613.20 g/mol. Its IUPAC name is N-[2-(azetidin-3-yloxy)ethyl]-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-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;1-[4-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: N-[2-(azetidin-3-yloxy)ethyl]-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-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;1-[4-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]piperidin-1-yl]ethanone
• PubChem CID: 163963124
• Molecular Formula: C134H196F10N28O14
• Molecular Weight: 2613.20 g/mol
• Exact Mass: 2611.53
• IUPAC Name: N-[2-(azetidin-3-yloxy)ethyl]-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-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;1-[4-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]piperidin-1-yl]ethanone
• SMILES: COc1cc2c(NC(C)C)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCN(C(C)=O)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCCOC3CNC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCOCC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(N[C@@H](C)CCCC3CCCO3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1
• InChI: InChI=1S/C30H45F2N5O3.C28H40F2N6O3.2C26H38F2N6O3.C24H35F2N5O2/c1-22(8-5-9-23-10-6-18-39-23)33-28-24-20-26(38-2)27(40-19-7-15-36-13-3-4-14-36)21-25(24)34-29(35-28)37-16-11-30(31,32)12-17-37;1-20(37)35-13-6-21(7-14-35)31-26-22-18-24(38-2)25(39-17-5-12-34-10-3-4-11-34)19-23(22)32-27(33-26)36-15-8-28(29,30)9-16-36;1-35-22-15-20-21(16-23(22)37-13-4-10-33-8-2-3-9-33)31-25(34-11-5-26(27,28)6-12-34)32-24(20)30-7-14-36-19-17-29-18-19;1-35-22-17-20-21(18-23(22)37-14-4-9-32-7-2-3-8-32)30-25(34-10-5-26(27,28)6-11-34)31-24(20)29-19-33-12-15-36-16-13-33;1-17(2)27-22-18-15-20(32-3)21(33-14-6-11-30-9-4-5-10-30)16-19(18)28-23(29-22)31-12-7-24(25,26)8-13-31/h20-23H,3-19H2,1-2H3,(H,33,34,35);18-19,21H,3-17H2,1-2H3,(H,31,32,33);15-16,19,29H,2-14,17-18H2,1H3,(H,30,31,32);17-18H,2-16,19H2,1H3,(H,29,30,31);15-17H,4-14H2,1-3H3,(H,27,28,29)/t22-,23?;;;;/m0..../s1
• InChIKey: SJGCSEMZLSXLDG-IOFJIVBESA-N
• XLogP: 21.19
• TPSA: 377.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 41
• Rotatable Bonds: 53
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2613.20
LogP ≤ 5	21.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yloxy)ethyl]-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-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;1-[4-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]piperidin-1-yl]ethanone?

The IUPAC name of N-[2-(azetidin-3-yloxy)ethyl]-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-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;1-[4-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]piperidin-1-yl]ethanone (CID 163963124) is N-[2-(azetidin-3-yloxy)ethyl]-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-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;1-[4-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]piperidin-1-yl]ethanone.

What is the SMILES notation for N-[2-(azetidin-3-yloxy)ethyl]-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-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;1-[4-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]piperidin-1-yl]ethanone?

The canonical SMILES for N-[2-(azetidin-3-yloxy)ethyl]-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-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;1-[4-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]piperidin-1-yl]ethanone is COc1cc2c(NC(C)C)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NC3CCN(C(C)=O)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCCOC3CNC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCOCC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.COc1cc2c(N[C@@H](C)CCCC3CCCO3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1.

What is the InChIKey of N-[2-(azetidin-3-yloxy)ethyl]-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-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;1-[4-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]piperidin-1-yl]ethanone?

The InChIKey is SJGCSEMZLSXLDG-IOFJIVBESA-N. The full InChI is InChI=1S/C30H45F2N5O3.C28H40F2N6O3.2C26H38F2N6O3.C24H35F2N5O2/c1-22(8-5-9-23-10-6-18-39-23)33-28-24-20-26(38-2)27(40-19-7-15-36-13-3-4-14-36)21-25(24)34-29(35-28)37-16-11-30(31,32)12-17-37;1-20(37)35-13-6-21(7-14-35)31-26-22-18-24(38-2)25(39-17-5-12-34-10-3-4-11-34)19-23(22)32-27(33-26)36-15-8-28(29,30)9-16-36;1-35-22-15-20-21(16-23(22)37-13-4-10-33-8-2-3-9-33)31-25(34-11-5-26(27,28)6-12-34)32-24(20)30-7-14-36-19-17-29-18-19;1-35-22-17-20-21(18-23(22)37-14-4-9-32-7-2-3-8-32)30-25(34-10-5-26(27,28)6-11-34)31-24(20)29-19-33-12-15-36-16-13-33;1-17(2)27-22-18-15-20(32-3)21(33-14-6-11-30-9-4-5-10-30)16-19(18)28-23(29-22)31-12-7-24(25,26)8-13-31/h20-23H,3-19H2,1-2H3,(H,33,34,35);18-19,21H,3-17H2,1-2H3,(H,31,32,33);15-16,19,29H,2-14,17-18H2,1H3,(H,30,31,32);17-18H,2-16,19H2,1H3,(H,29,30,31);15-17H,4-14H2,1-3H3,(H,27,28,29)/t22-,23?;;;;/m0..../s1.

What are the key properties of N-[2-(azetidin-3-yloxy)ethyl]-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-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;1-[4-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]piperidin-1-yl]ethanone?

N-[2-(azetidin-3-yloxy)ethyl]-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-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;1-[4-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 2613.20 g/mol, XLogP of 21.19, 53 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(azetidin-3-yloxy)ethyl]-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-(morpholin-4-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-[(2S)-5-(oxolan-2-yl)pentan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;1-[4-[[2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 163963124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).