N-[2-[2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C148H136Cl4F12N32O18 — CID 158963700

About N-[2-[2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[2-[2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 158963700) has the molecular formula C148H136Cl4F12N32O18 and a molecular weight of 3020.71 g/mol. Its IUPAC name is N-[2-[2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
• PubChem CID: 158963700
• Molecular Formula: C148H136Cl4F12N32O18
• Molecular Weight: 3020.71 g/mol
• Exact Mass: 3016.93
• IUPAC Name: N-[2-[2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
• SMILES: C=CC(=O)N1CCN(c2ncnc3cc(CCc4ccc(NC(=O)CC)cc4NC(=O)c4cnn(-c5ccc(OC)cc5)c4C(F)(F)F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3cc(COc4ccc(NC(=O)CC)cc4NC(=O)c4cnn(-c5ccc(OC)cc5)c4C(F)(F)F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3cc(Cc4cc(NC(=O)CC)cc(NC(=O)c5cnn(-c6ccc(OC)cc6)c5C(F)(F)F)c4)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3cc(Oc4cc(NC(=O)CC)cc(NC(=O)c5cnn(-c6ccc(OC)cc6)c5C(F)(F)F)c4)c(Cl)cc23)CC1
• InChI: InChI=1S/C38H36ClF3N8O4.C37H34ClF3N8O5.C37H34ClF3N8O4.C36H32ClF3N8O5/c1-4-33(51)46-25-9-8-23(31(19-25)47-37(53)29-21-45-50(35(29)38(40,41)42)26-10-12-27(54-3)13-11-26)6-7-24-18-32-28(20-30(24)39)36(44-22-43-32)49-16-14-48(15-17-49)34(52)5-2;1-4-32(50)45-23-6-11-31(30(17-23)46-36(52)27-19-44-49(34(27)37(39,40)41)24-7-9-25(53-3)10-8-24)54-20-22-16-29-26(18-28(22)38)35(43-21-42-29)48-14-12-47(13-15-48)33(51)5-2;1-4-32(50)45-24-15-22(14-23-17-31-28(19-30(23)38)35(43-21-42-31)48-12-10-47(11-13-48)33(51)5-2)16-25(18-24)46-36(52)29-20-44-49(34(29)37(39,40)41)26-6-8-27(53-3)9-7-26;1-4-31(49)44-21-14-22(45-35(51)27-19-43-48(33(27)36(38,39)40)23-6-8-24(52-3)9-7-23)16-25(15-21)53-30-18-29-26(17-28(30)37)34(42-20-41-29)47-12-10-46(11-13-47)32(50)5-2/h5,8-13,18-22H,2,4,6-7,14-17H2,1,3H3,(H,46,51)(H,47,53);5-11,16-19,21H,2,4,12-15,20H2,1,3H3,(H,45,50)(H,46,52);5-9,15-21H,2,4,10-14H2,1,3H3,(H,45,50)(H,46,52);5-9,14-20H,2,4,10-13H2,1,3H3,(H,44,49)(H,45,51)
• InChIKey: JMXWQOJMXBMOHV-UHFFFAOYSA-N
• XLogP: 26.47
• TPSA: 556.78 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 42
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3020.71
LogP ≤ 5	26.47
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?

The IUPAC name of N-[2-[2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 158963700) is N-[2-[2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

What is the SMILES notation for N-[2-[2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?

The canonical SMILES for N-[2-[2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is C=CC(=O)N1CCN(c2ncnc3cc(CCc4ccc(NC(=O)CC)cc4NC(=O)c4cnn(-c5ccc(OC)cc5)c4C(F)(F)F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3cc(COc4ccc(NC(=O)CC)cc4NC(=O)c4cnn(-c5ccc(OC)cc5)c4C(F)(F)F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3cc(Cc4cc(NC(=O)CC)cc(NC(=O)c5cnn(-c6ccc(OC)cc6)c5C(F)(F)F)c4)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3cc(Oc4cc(NC(=O)CC)cc(NC(=O)c5cnn(-c6ccc(OC)cc6)c5C(F)(F)F)c4)c(Cl)cc23)CC1.

What is the InChIKey of N-[2-[2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?

The InChIKey is JMXWQOJMXBMOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36ClF3N8O4.C37H34ClF3N8O5.C37H34ClF3N8O4.C36H32ClF3N8O5/c1-4-33(51)46-25-9-8-23(31(19-25)47-37(53)29-21-45-50(35(29)38(40,41)42)26-10-12-27(54-3)13-11-26)6-7-24-18-32-28(20-30(24)39)36(44-22-43-32)49-16-14-48(15-17-49)34(52)5-2;1-4-32(50)45-23-6-11-31(30(17-23)46-36(52)27-19-44-49(34(27)37(39,40)41)24-7-9-25(53-3)10-8-24)54-20-22-16-29-26(18-28(22)38)35(43-21-42-29)48-14-12-47(13-15-48)33(51)5-2;1-4-32(50)45-24-15-22(14-23-17-31-28(19-30(23)38)35(43-21-42-31)48-12-10-47(11-13-48)33(51)5-2)16-25(18-24)46-36(52)29-20-44-49(34(29)37(39,40)41)26-6-8-27(53-3)9-7-26;1-4-31(49)44-21-14-22(45-35(51)27-19-43-48(33(27)36(38,39)40)23-6-8-24(52-3)9-7-23)16-25(15-21)53-30-18-29-26(17-28(30)37)34(42-20-41-29)47-12-10-46(11-13-47)32(50)5-2/h5,8-13,18-22H,2,4,6-7,14-17H2,1,3H3,(H,46,51)(H,47,53);5-11,16-19,21H,2,4,12-15,20H2,1,3H3,(H,45,50)(H,46,52);5-9,15-21H,2,4,10-14H2,1,3H3,(H,45,50)(H,46,52);5-9,14-20H,2,4,10-13H2,1,3H3,(H,44,49)(H,45,51).

What are the key properties of N-[2-[2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?

N-[2-[2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 3020.71 g/mol, XLogP of 26.47, 42 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]ethyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[2-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methoxy]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]methyl]-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]oxy-5-(propanoylamino)phenyl]-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 158963700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).