4-benzyl-2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(3,4-difluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-indol-2-ylmethyl)quinazoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-7-carboxamide

C125H110ClF5N22O9 — CID 159344654

About 4-benzyl-2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(3,4-difluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-indol-2-ylmethyl)quinazoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-7-carboxamide

4-benzyl-2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(3,4-difluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-indol-2-ylmethyl)quinazoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-7-carboxamide (PubChem CID 159344654) has the molecular formula C125H110ClF5N22O9 and a molecular weight of 2194.84 g/mol. Its IUPAC name is 4-benzyl-2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(3,4-difluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-indol-2-ylmethyl)quinazoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-7-carboxamide.

Molecular Properties

• Compound Name: 4-benzyl-2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(3,4-difluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-indol-2-ylmethyl)quinazoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-7-carboxamide
• PubChem CID: 159344654
• Molecular Formula: C125H110ClF5N22O9
• Molecular Weight: 2194.84 g/mol
• Exact Mass: 2192.84
• IUPAC Name: 4-benzyl-2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(3,4-difluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-indol-2-ylmethyl)quinazoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-7-carboxamide
• SMILES: CCOc1cc(-c2ccc(F)c(F)c2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12.CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCC3CC3c3ncc[nH]3)ccc12.CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCn3cncn3)ccc12.CCOc1nc(-c2ccc(F)cc2)nc2cc(C(=O)NCC3=Nc4ccccc4C3)ccc12.O=C(NCCCc1ncc[nH]1)c1ccc2c(Cc3ccccc3)nc(-c3ccc(Cl)cc3)nc2c1
• InChI: InChI=1S/C28H24ClN5O.C26H21FN4O2.C25H23FN4O2.C24H22F2N4O2.C22H20FN5O2/c29-22-11-8-20(9-12-22)27-33-24(17-19-5-2-1-3-6-19)23-13-10-21(18-25(23)34-27)28(35)32-14-4-7-26-30-15-16-31-26;1-2-33-26-21-12-9-18(14-23(21)30-24(31-26)16-7-10-19(27)11-8-16)25(32)28-15-20-13-17-5-3-4-6-22(17)29-20;1-2-32-23-13-21(15-3-6-18(26)7-4-15)30-22-12-16(5-8-19(22)23)25(31)29-14-17-11-20(17)24-27-9-10-28-24;1-2-32-22-14-20(15-6-8-18(25)19(26)12-15)30-21-13-16(5-7-17(21)22)24(31)29-9-3-4-23-27-10-11-28-23;1-2-30-21-12-19(15-3-6-17(23)7-4-15)27-20-11-16(5-8-18(20)21)22(29)25-9-10-28-14-24-13-26-28/h1-3,5-6,8-13,15-16,18H,4,7,14,17H2,(H,30,31)(H,32,35);3-12,14H,2,13,15H2,1H3,(H,28,32);3-10,12-13,17,20H,2,11,14H2,1H3,(H,27,28)(H,29,31);5-8,10-14H,2-4,9H2,1H3,(H,27,28)(H,29,31);3-8,11-14H,2,9-10H2,1H3,(H,25,29)
• InChIKey: LGOIXNBXQVEVKS-UHFFFAOYSA-N
• XLogP: 23.34
• TPSA: 401.76 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 36
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2194.84
LogP ≤ 5	23.34
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(3,4-difluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-indol-2-ylmethyl)quinazoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-7-carboxamide?

The IUPAC name of 4-benzyl-2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(3,4-difluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-indol-2-ylmethyl)quinazoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-7-carboxamide (CID 159344654) is 4-benzyl-2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(3,4-difluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-indol-2-ylmethyl)quinazoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-7-carboxamide.

What is the SMILES notation for 4-benzyl-2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(3,4-difluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-indol-2-ylmethyl)quinazoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-7-carboxamide?

The canonical SMILES for 4-benzyl-2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(3,4-difluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-indol-2-ylmethyl)quinazoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-7-carboxamide is CCOc1cc(-c2ccc(F)c(F)c2)nc2cc(C(=O)NCCCc3ncc[nH]3)ccc12.CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCC3CC3c3ncc[nH]3)ccc12.CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCn3cncn3)ccc12.CCOc1nc(-c2ccc(F)cc2)nc2cc(C(=O)NCC3=Nc4ccccc4C3)ccc12.O=C(NCCCc1ncc[nH]1)c1ccc2c(Cc3ccccc3)nc(-c3ccc(Cl)cc3)nc2c1.

What is the InChIKey of 4-benzyl-2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(3,4-difluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-indol-2-ylmethyl)quinazoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-7-carboxamide?

The InChIKey is LGOIXNBXQVEVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN5O.C26H21FN4O2.C25H23FN4O2.C24H22F2N4O2.C22H20FN5O2/c29-22-11-8-20(9-12-22)27-33-24(17-19-5-2-1-3-6-19)23-13-10-21(18-25(23)34-27)28(35)32-14-4-7-26-30-15-16-31-26;1-2-33-26-21-12-9-18(14-23(21)30-24(31-26)16-7-10-19(27)11-8-16)25(32)28-15-20-13-17-5-3-4-6-22(17)29-20;1-2-32-23-13-21(15-3-6-18(26)7-4-15)30-22-12-16(5-8-19(22)23)25(31)29-14-17-11-20(17)24-27-9-10-28-24;1-2-32-22-14-20(15-6-8-18(25)19(26)12-15)30-21-13-16(5-7-17(21)22)24(31)29-9-3-4-23-27-10-11-28-23;1-2-30-21-12-19(15-3-6-17(23)7-4-15)27-20-11-16(5-8-18(20)21)22(29)25-9-10-28-14-24-13-26-28/h1-3,5-6,8-13,15-16,18H,4,7,14,17H2,(H,30,31)(H,32,35);3-12,14H,2,13,15H2,1H3,(H,28,32);3-10,12-13,17,20H,2,11,14H2,1H3,(H,27,28)(H,29,31);5-8,10-14H,2-4,9H2,1H3,(H,27,28)(H,29,31);3-8,11-14H,2,9-10H2,1H3,(H,25,29).

What are the key properties of 4-benzyl-2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(3,4-difluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-indol-2-ylmethyl)quinazoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-7-carboxamide?

4-benzyl-2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(3,4-difluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-indol-2-ylmethyl)quinazoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-7-carboxamide has a molecular weight of 2194.84 g/mol, XLogP of 23.34, 36 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzyl-2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(3,4-difluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-indol-2-ylmethyl)quinazoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-7-carboxamide is sourced from PubChem (CID 159344654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).