4-[7-(1-acetylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;N,N-dimethyl-4-[4-[1-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]piperazine-1-carboxamide;4-[7-(2-hydroxyethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(1-methylsulfonylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(2-morpholin-4-yl-2-oxoethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide

C144H175N31O16S — CID 159032169

About 4-[7-(1-acetylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;N,N-dimethyl-4-[4-[1-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]piperazine-1-carboxamide;4-[7-(2-hydroxyethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(1-methylsulfonylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(2-morpholin-4-yl-2-oxoethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide

4-[7-(1-acetylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;N,N-dimethyl-4-[4-[1-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]piperazine-1-carboxamide;4-[7-(2-hydroxyethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(1-methylsulfonylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(2-morpholin-4-yl-2-oxoethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide (PubChem CID 159032169) has the molecular formula C144H175N31O16S and a molecular weight of 2628.25 g/mol. Its IUPAC name is 4-[7-(1-acetylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;N,N-dimethyl-4-[4-[1-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]piperazine-1-carboxamide;4-[7-(2-hydroxyethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(1-methylsulfonylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(2-morpholin-4-yl-2-oxoethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[7-(1-acetylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;N,N-dimethyl-4-[4-[1-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]piperazine-1-carboxamide;4-[7-(2-hydroxyethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(1-methylsulfonylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(2-morpholin-4-yl-2-oxoethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
• PubChem CID: 159032169
• Molecular Formula: C144H175N31O16S
• Molecular Weight: 2628.25 g/mol
• Exact Mass: 2626.36
• IUPAC Name: 4-[7-(1-acetylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;N,N-dimethyl-4-[4-[1-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]piperazine-1-carboxamide;4-[7-(2-hydroxyethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(1-methylsulfonylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(2-morpholin-4-yl-2-oxoethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
• SMILES: CC(=O)N1CC(Oc2ccc3c(C4CCN(C(=O)Nc5ccc(N6CCCC6)cc5)CC4)ncnc3c2)C1.CN(C)C(=O)N1CCN(c2ccc3c(C4CCN(C(=O)Nc5ccc(N6CCCC6)cc5)CC4)ncnc3c2)CC1.CS(=O)(=O)N1CC(Oc2ccc3c(C4CCN(C(=O)Nc5ccc(N6CCCC6)cc5)CC4)ncnc3c2)C1.O=C(COc1ccc2c(C3CCN(C(=O)Nc4ccc(N5CCCC5)cc4)CC3)ncnc2c1)N1CCOCC1.O=C(Nc1ccc(N2CCCC2)cc1)N1CCC(c2ncnc3cc(OCCO)ccc23)CC1
• InChI: InChI=1S/C31H40N8O2.C30H36N6O4.C29H34N6O3.C28H34N6O4S.C26H31N5O3/c1-35(2)31(41)39-19-17-37(18-20-39)26-9-10-27-28(21-26)32-22-33-29(27)23-11-15-38(16-12-23)30(40)34-24-5-7-25(8-6-24)36-13-3-4-14-36;37-28(35-15-17-39-18-16-35)20-40-25-7-8-26-27(19-25)31-21-32-29(26)22-9-13-36(14-10-22)30(38)33-23-3-5-24(6-4-23)34-11-1-2-12-34;1-20(36)35-17-25(18-35)38-24-8-9-26-27(16-24)30-19-31-28(26)21-10-14-34(15-11-21)29(37)32-22-4-6-23(7-5-22)33-12-2-3-13-33;1-39(36,37)34-17-24(18-34)38-23-8-9-25-26(16-23)29-19-30-27(25)20-10-14-33(15-11-20)28(35)31-21-4-6-22(7-5-21)32-12-2-3-13-32;32-15-16-34-22-7-8-23-24(17-22)27-18-28-25(23)19-9-13-31(14-10-19)26(33)29-20-3-5-21(6-4-20)30-11-1-2-12-30/h5-10,21-23H,3-4,11-20H2,1-2H3,(H,34,40);3-8,19,21-22H,1-2,9-18,20H2,(H,33,38);4-9,16,19,21,25H,2-3,10-15,17-18H2,1H3,(H,32,37);4-9,16,19-20,24H,2-3,10-15,17-18H2,1H3,(H,31,35);3-8,17-19,32H,1-2,9-16H2,(H,29,33)
• InChIKey: JVADBGRPLSFWNB-UHFFFAOYSA-N
• XLogP: 20.25
• TPSA: 477.97 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 27
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2628.25
LogP ≤ 5	20.25
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[7-(1-acetylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;N,N-dimethyl-4-[4-[1-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]piperazine-1-carboxamide;4-[7-(2-hydroxyethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(1-methylsulfonylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(2-morpholin-4-yl-2-oxoethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide?

The IUPAC name of 4-[7-(1-acetylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;N,N-dimethyl-4-[4-[1-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]piperazine-1-carboxamide;4-[7-(2-hydroxyethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(1-methylsulfonylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(2-morpholin-4-yl-2-oxoethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide (CID 159032169) is 4-[7-(1-acetylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;N,N-dimethyl-4-[4-[1-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]piperazine-1-carboxamide;4-[7-(2-hydroxyethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(1-methylsulfonylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(2-morpholin-4-yl-2-oxoethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide.

What is the SMILES notation for 4-[7-(1-acetylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;N,N-dimethyl-4-[4-[1-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]piperazine-1-carboxamide;4-[7-(2-hydroxyethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(1-methylsulfonylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(2-morpholin-4-yl-2-oxoethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide?

The canonical SMILES for 4-[7-(1-acetylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;N,N-dimethyl-4-[4-[1-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]piperazine-1-carboxamide;4-[7-(2-hydroxyethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(1-methylsulfonylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(2-morpholin-4-yl-2-oxoethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide is CC(=O)N1CC(Oc2ccc3c(C4CCN(C(=O)Nc5ccc(N6CCCC6)cc5)CC4)ncnc3c2)C1.CN(C)C(=O)N1CCN(c2ccc3c(C4CCN(C(=O)Nc5ccc(N6CCCC6)cc5)CC4)ncnc3c2)CC1.CS(=O)(=O)N1CC(Oc2ccc3c(C4CCN(C(=O)Nc5ccc(N6CCCC6)cc5)CC4)ncnc3c2)C1.O=C(COc1ccc2c(C3CCN(C(=O)Nc4ccc(N5CCCC5)cc4)CC3)ncnc2c1)N1CCOCC1.O=C(Nc1ccc(N2CCCC2)cc1)N1CCC(c2ncnc3cc(OCCO)ccc23)CC1.

What is the InChIKey of 4-[7-(1-acetylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;N,N-dimethyl-4-[4-[1-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]piperazine-1-carboxamide;4-[7-(2-hydroxyethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(1-methylsulfonylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(2-morpholin-4-yl-2-oxoethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide?

The InChIKey is JVADBGRPLSFWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N8O2.C30H36N6O4.C29H34N6O3.C28H34N6O4S.C26H31N5O3/c1-35(2)31(41)39-19-17-37(18-20-39)26-9-10-27-28(21-26)32-22-33-29(27)23-11-15-38(16-12-23)30(40)34-24-5-7-25(8-6-24)36-13-3-4-14-36;37-28(35-15-17-39-18-16-35)20-40-25-7-8-26-27(19-25)31-21-32-29(26)22-9-13-36(14-10-22)30(38)33-23-3-5-24(6-4-23)34-11-1-2-12-34;1-20(36)35-17-25(18-35)38-24-8-9-26-27(16-24)30-19-31-28(26)21-10-14-34(15-11-21)29(37)32-22-4-6-23(7-5-22)33-12-2-3-13-33;1-39(36,37)34-17-24(18-34)38-23-8-9-25-26(16-23)29-19-30-27(25)20-10-14-33(15-11-20)28(35)31-21-4-6-22(7-5-21)32-12-2-3-13-32;32-15-16-34-22-7-8-23-24(17-22)27-18-28-25(23)19-9-13-31(14-10-19)26(33)29-20-3-5-21(6-4-20)30-11-1-2-12-30/h5-10,21-23H,3-4,11-20H2,1-2H3,(H,34,40);3-8,19,21-22H,1-2,9-18,20H2,(H,33,38);4-9,16,19,21,25H,2-3,10-15,17-18H2,1H3,(H,32,37);4-9,16,19-20,24H,2-3,10-15,17-18H2,1H3,(H,31,35);3-8,17-19,32H,1-2,9-16H2,(H,29,33).

What are the key properties of 4-[7-(1-acetylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;N,N-dimethyl-4-[4-[1-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]piperazine-1-carboxamide;4-[7-(2-hydroxyethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(1-methylsulfonylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(2-morpholin-4-yl-2-oxoethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide?

4-[7-(1-acetylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;N,N-dimethyl-4-[4-[1-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]piperazine-1-carboxamide;4-[7-(2-hydroxyethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(1-methylsulfonylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(2-morpholin-4-yl-2-oxoethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide has a molecular weight of 2628.25 g/mol, XLogP of 20.25, 27 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-(1-acetylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;N,N-dimethyl-4-[4-[1-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]piperazine-1-carboxamide;4-[7-(2-hydroxyethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(1-methylsulfonylazetidin-3-yl)oxyquinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide;4-[7-(2-morpholin-4-yl-2-oxoethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 159032169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).