2-[[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;4-[2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine

C100H118N26O2 — CID 159264335

About 2-[[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;4-[2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine

2-[[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;4-[2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine (PubChem CID 159264335) has the molecular formula C100H118N26O2 and a molecular weight of 1716.22 g/mol. Its IUPAC name is 2-[[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;4-[2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

• Compound Name: 2-[[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;4-[2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine
• PubChem CID: 159264335
• Molecular Formula: C100H118N26O2
• Molecular Weight: 1716.22 g/mol
• Exact Mass: 1714.99
• IUPAC Name: 2-[[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;4-[2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine
• SMILES: CN1CCN(CCn2ccc(Cc3ncc4c(n3)-c3c(cn(C)c3Cc3cccc(-c5cnn(C)c5)c3)CC4)n2)CC1.COCCN1CCN(CCn2ccc(Cc3ncc4c(n3)-c3c(cn(C)c3Cc3cccc(-c5cnn(C)c5)c3)CC4)n2)CC1.Cn1cc(-c2cccc(Cc3c4c(cn3C)CCc3cnc(Cc5ccn(CCN6CCOCC6)n5)nc3-4)c2)cn1
• InChI: InChI=1S/C35H43N9O.C33H39N9.C32H36N8O/c1-40-24-29-8-7-28-22-36-33(21-31-9-10-44(39-31)16-15-42-11-13-43(14-12-42)17-18-45-3)38-35(28)34(29)32(40)20-26-5-4-6-27(19-26)30-23-37-41(2)25-30;1-38-11-13-41(14-12-38)15-16-42-10-9-29(37-42)19-31-34-20-26-7-8-27-22-39(2)30(32(27)33(26)36-31)18-24-5-4-6-25(17-24)28-21-35-40(3)23-28;1-37-21-26-7-6-25-19-33-30(18-28-8-9-40(36-28)11-10-39-12-14-41-15-13-39)35-32(25)31(26)29(37)17-23-4-3-5-24(16-23)27-20-34-38(2)22-27/h4-6,9-10,19,22-25H,7-8,11-18,20-21H2,1-3H3;4-6,9-10,17,20-23H,7-8,11-16,18-19H2,1-3H3;3-5,8-9,16,19-22H,6-7,10-15,17-18H2,1-2H3
• InChIKey: KWXHJLOKIYKRAB-UHFFFAOYSA-N
• XLogP: 10.92
• TPSA: 233.71 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1716.22
LogP ≤ 5	10.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;4-[2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine?

The IUPAC name of 2-[[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;4-[2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine (CID 159264335) is 2-[[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;4-[2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine.

What is the SMILES notation for 2-[[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;4-[2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine?

The canonical SMILES for 2-[[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;4-[2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine is CN1CCN(CCn2ccc(Cc3ncc4c(n3)-c3c(cn(C)c3Cc3cccc(-c5cnn(C)c5)c3)CC4)n2)CC1.COCCN1CCN(CCn2ccc(Cc3ncc4c(n3)-c3c(cn(C)c3Cc3cccc(-c5cnn(C)c5)c3)CC4)n2)CC1.Cn1cc(-c2cccc(Cc3c4c(cn3C)CCc3cnc(Cc5ccn(CCN6CCOCC6)n5)nc3-4)c2)cn1.

What is the InChIKey of 2-[[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;4-[2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine?

The InChIKey is KWXHJLOKIYKRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N9O.C33H39N9.C32H36N8O/c1-40-24-29-8-7-28-22-36-33(21-31-9-10-44(39-31)16-15-42-11-13-43(14-12-42)17-18-45-3)38-35(28)34(29)32(40)20-26-5-4-6-27(19-26)30-23-37-41(2)25-30;1-38-11-13-41(14-12-38)15-16-42-10-9-29(37-42)19-31-34-20-26-7-8-27-22-39(2)30(32(27)33(26)36-31)18-24-5-4-6-25(17-24)28-21-35-40(3)23-28;1-37-21-26-7-6-25-19-33-30(18-28-8-9-40(36-28)11-10-39-12-14-41-15-13-39)35-32(25)31(26)29(37)17-23-4-3-5-24(16-23)27-20-34-38(2)22-27/h4-6,9-10,19,22-25H,7-8,11-18,20-21H2,1-3H3;4-6,9-10,17,20-23H,7-8,11-16,18-19H2,1-3H3;3-5,8-9,16,19-22H,6-7,10-15,17-18H2,1-2H3.

What are the key properties of 2-[[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;4-[2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine?

2-[[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;4-[2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine has a molecular weight of 1716.22 g/mol, XLogP of 10.92, 27 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]pyrazol-3-yl]methyl]-8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;8-methyl-2-[[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]methyl]-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazoline;4-[2-[3-[[8-methyl-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 159264335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).