3-(butylamino)-5-(4-hydroxycyclohexyl)-8-(piperazin-1-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[(4-ethylpiperazin-1-yl)methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-5-(4-hydroxycyclohexyl)-8-(morpholin-4-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one

C135H175F2N31O11 — CID 159610094

IUPAC3-(butylamino)-5-(4-hydroxycyclohexyl)-8-(piperazin-1-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[(4-ethylpiperazin-1-yl)methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-5-(4-hydroxycyclohexyl)-8-(morpholin-4-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one
SMILESCCCCNc1ncc2c3ccc(CN4CCNCC4)cc3c(=O)n(C3CCC(O)CC3)c2n1.CCN1CCN(Cc2ccc3c(c2)c(=O)n(C2CCC(O)CC2)c2nc(NCC4CC4)ncc32)CC1.O=c1c2cc(CN3CCN(CC(F)F)CC3)ccc2c2cnc(NCC3CC3)nc2n1C1CCC(O)CC1.O=c1c2cc(CN3CCOCC3)ccc2c2cnc(NCC3CC3)nc2n1C1CCC(O)CC1.O=c1c2cc(CN3CCn4ncnc4C3)ccc2c2cnc(NCC3CC3)nc2n1C1CCC(O)CC1
InChIInChI=1S/C28H36F2N6O2.C28H38N6O2.C27H32N8O2.C26H36N6O2.C26H33N5O3/c29-25(30)17-35-11-9-34(10-12-35)16-19-3-8-22-23(13-19)27(38)36(20-4-6-21(37)7-5-20)26-24(22)15-32-28(33-26)31-14-18-1-2-18;1-2-32-11-13-33(14-12-32)18-20-5-10-23-24(15-20)27(36)34(21-6-8-22(35)9-7-21)26-25(23)17-30-28(31-26)29-16-19-3-4-19;36-20-6-4-19(5-7-20)35-25-23(13-29-27(32-25)28-12-17-1-2-17)21-8-3-18(11-22(21)26(35)37)14-33-9-10-34-24(15-33)30-16-31-34;1-2-3-10-28-26-29-16-23-21-9-4-18(17-31-13-11-27-12-14-31)15-22(21)25(34)32(24(23)30-26)19-5-7-20(33)8-6-19;32-20-6-4-19(5-7-20)31-24-23(15-28-26(29-24)27-14-17-1-2-17)21-8-3-18(13-22(21)25(31)33)16-30-9-11-34-12-10-30/h3,8,13,15,18,20-21,25,37H,1-2,4-7,9-12,14,16-17H2,(H,31,32,33);5,10,15,17,19,21-22,35H,2-4,6-9,11-14,16,18H2,1H3,(H,29,30,31);3,8,11,13,16-17,19-20,36H,1-2,4-7,9-10,12,14-15H2,(H,28,29,32);4,9,15-16,19-20,27,33H,2-3,5-8,10-14,17H2,1H3,(H,28,29,30);3,8,13,15,17,19-20,32H,1-2,4-7,9-12,14,16H2,(H,27,28,29)
InChIKeyMMOUHWIKUQWUSR-UHFFFAOYSA-N
MW2446.09 g/mol
LogP15.97
Rot. Bonds34

About 3-(butylamino)-5-(4-hydroxycyclohexyl)-8-(piperazin-1-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[(4-ethylpiperazin-1-yl)methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-5-(4-hydroxycyclohexyl)-8-(morpholin-4-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one

3-(butylamino)-5-(4-hydroxycyclohexyl)-8-(piperazin-1-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[(4-ethylpiperazin-1-yl)methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-5-(4-hydroxycyclohexyl)-8-(morpholin-4-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one (PubChem CID 159610094) has the molecular formula C135H175F2N31O11 and a molecular weight of 2446.09 g/mol. Its IUPAC name is 3-(butylamino)-5-(4-hydroxycyclohexyl)-8-(piperazin-1-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[(4-ethylpiperazin-1-yl)methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-5-(4-hydroxycyclohexyl)-8-(morpholin-4-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one.

Molecular Properties

Compound Name3-(butylamino)-5-(4-hydroxycyclohexyl)-8-(piperazin-1-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[(4-ethylpiperazin-1-yl)methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-5-(4-hydroxycyclohexyl)-8-(morpholin-4-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one
PubChem CID159610094
Molecular FormulaC135H175F2N31O11
Molecular Weight2446.09 g/mol
Exact Mass2444.41
IUPAC Name3-(butylamino)-5-(4-hydroxycyclohexyl)-8-(piperazin-1-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[(4-ethylpiperazin-1-yl)methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-5-(4-hydroxycyclohexyl)-8-(morpholin-4-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one
SMILESCCCCNc1ncc2c3ccc(CN4CCNCC4)cc3c(=O)n(C3CCC(O)CC3)c2n1.CCN1CCN(Cc2ccc3c(c2)c(=O)n(C2CCC(O)CC2)c2nc(NCC4CC4)ncc32)CC1.O=c1c2cc(CN3CCN(CC(F)F)CC3)ccc2c2cnc(NCC3CC3)nc2n1C1CCC(O)CC1.O=c1c2cc(CN3CCOCC3)ccc2c2cnc(NCC3CC3)nc2n1C1CCC(O)CC1.O=c1c2cc(CN3CCn4ncnc4C3)ccc2c2cnc(NCC3CC3)nc2n1C1CCC(O)CC1
InChIInChI=1S/C28H36F2N6O2.C28H38N6O2.C27H32N8O2.C26H36N6O2.C26H33N5O3/c29-25(30)17-35-11-9-34(10-12-35)16-19-3-8-22-23(13-19)27(38)36(20-4-6-21(37)7-5-20)26-24(22)15-32-28(33-26)31-14-18-1-2-18;1-2-32-11-13-33(14-12-32)18-20-5-10-23-24(15-20)27(36)34(21-6-8-22(35)9-7-21)26-25(23)17-30-28(31-26)29-16-19-3-4-19;36-20-6-4-19(5-7-20)35-25-23(13-29-27(32-25)28-12-17-1-2-17)21-8-3-18(11-22(21)26(35)37)14-33-9-10-34-24(15-33)30-16-31-34;1-2-3-10-28-26-29-16-23-21-9-4-18(17-31-13-11-27-12-14-31)15-22(21)25(34)32(24(23)30-26)19-5-7-20(33)8-6-19;32-20-6-4-19(5-7-20)31-24-23(15-28-26(29-24)27-14-17-1-2-17)21-8-3-18(13-22(21)25(31)33)16-30-9-11-34-12-10-30/h3,8,13,15,18,20-21,25,37H,1-2,4-7,9-12,14,16-17H2,(H,31,32,33);5,10,15,17,19,21-22,35H,2-4,6-9,11-14,16,18H2,1H3,(H,29,30,31);3,8,11,13,16-17,19-20,36H,1-2,4-7,9-10,12,14-15H2,(H,28,29,32);4,9,15-16,19-20,27,33H,2-3,5-8,10-14,17H2,1H3,(H,28,29,30);3,8,13,15,17,19-20,32H,1-2,4-7,9-12,14,16H2,(H,27,28,29)
InChIKeyMMOUHWIKUQWUSR-UHFFFAOYSA-N
XLogP15.97
TPSA474.85 Ų
H-Bond Donors11
H-Bond Acceptors42
Rotatable Bonds34
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002446.09
LogP ≤ 515.97
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-(butylamino)-5-(4-hydroxycyclohexyl)-8-(piperazin-1-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[(4-ethylpiperazin-1-yl)methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-5-(4-hydroxycyclohexyl)-8-(morpholin-4-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(butylamino)-5-(4-hydroxycyclohexyl)-8-(piperazin-1-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[(4-ethylpiperazin-1-yl)methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-5-(4-hydroxycyclohexyl)-8-(morpholin-4-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one?
The IUPAC name of 3-(butylamino)-5-(4-hydroxycyclohexyl)-8-(piperazin-1-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[(4-ethylpiperazin-1-yl)methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-5-(4-hydroxycyclohexyl)-8-(morpholin-4-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one (CID 159610094) is 3-(butylamino)-5-(4-hydroxycyclohexyl)-8-(piperazin-1-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[(4-ethylpiperazin-1-yl)methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-5-(4-hydroxycyclohexyl)-8-(morpholin-4-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one.
What is the SMILES notation for 3-(butylamino)-5-(4-hydroxycyclohexyl)-8-(piperazin-1-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[(4-ethylpiperazin-1-yl)methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-5-(4-hydroxycyclohexyl)-8-(morpholin-4-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one?
The canonical SMILES for 3-(butylamino)-5-(4-hydroxycyclohexyl)-8-(piperazin-1-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[(4-ethylpiperazin-1-yl)methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-5-(4-hydroxycyclohexyl)-8-(morpholin-4-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one is CCCCNc1ncc2c3ccc(CN4CCNCC4)cc3c(=O)n(C3CCC(O)CC3)c2n1.CCN1CCN(Cc2ccc3c(c2)c(=O)n(C2CCC(O)CC2)c2nc(NCC4CC4)ncc32)CC1.O=c1c2cc(CN3CCN(CC(F)F)CC3)ccc2c2cnc(NCC3CC3)nc2n1C1CCC(O)CC1.O=c1c2cc(CN3CCOCC3)ccc2c2cnc(NCC3CC3)nc2n1C1CCC(O)CC1.O=c1c2cc(CN3CCn4ncnc4C3)ccc2c2cnc(NCC3CC3)nc2n1C1CCC(O)CC1.
What is the InChIKey of 3-(butylamino)-5-(4-hydroxycyclohexyl)-8-(piperazin-1-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[(4-ethylpiperazin-1-yl)methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-5-(4-hydroxycyclohexyl)-8-(morpholin-4-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one?
The InChIKey is MMOUHWIKUQWUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36F2N6O2.C28H38N6O2.C27H32N8O2.C26H36N6O2.C26H33N5O3/c29-25(30)17-35-11-9-34(10-12-35)16-19-3-8-22-23(13-19)27(38)36(20-4-6-21(37)7-5-20)26-24(22)15-32-28(33-26)31-14-18-1-2-18;1-2-32-11-13-33(14-12-32)18-20-5-10-23-24(15-20)27(36)34(21-6-8-22(35)9-7-21)26-25(23)17-30-28(31-26)29-16-19-3-4-19;36-20-6-4-19(5-7-20)35-25-23(13-29-27(32-25)28-12-17-1-2-17)21-8-3-18(11-22(21)26(35)37)14-33-9-10-34-24(15-33)30-16-31-34;1-2-3-10-28-26-29-16-23-21-9-4-18(17-31-13-11-27-12-14-31)15-22(21)25(34)32(24(23)30-26)19-5-7-20(33)8-6-19;32-20-6-4-19(5-7-20)31-24-23(15-28-26(29-24)27-14-17-1-2-17)21-8-3-18(13-22(21)25(31)33)16-30-9-11-34-12-10-30/h3,8,13,15,18,20-21,25,37H,1-2,4-7,9-12,14,16-17H2,(H,31,32,33);5,10,15,17,19,21-22,35H,2-4,6-9,11-14,16,18H2,1H3,(H,29,30,31);3,8,11,13,16-17,19-20,36H,1-2,4-7,9-10,12,14-15H2,(H,28,29,32);4,9,15-16,19-20,27,33H,2-3,5-8,10-14,17H2,1H3,(H,28,29,30);3,8,13,15,17,19-20,32H,1-2,4-7,9-12,14,16H2,(H,27,28,29).
What are the key properties of 3-(butylamino)-5-(4-hydroxycyclohexyl)-8-(piperazin-1-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[(4-ethylpiperazin-1-yl)methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-5-(4-hydroxycyclohexyl)-8-(morpholin-4-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one?
3-(butylamino)-5-(4-hydroxycyclohexyl)-8-(piperazin-1-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[(4-ethylpiperazin-1-yl)methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-5-(4-hydroxycyclohexyl)-8-(morpholin-4-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one has a molecular weight of 2446.09 g/mol, XLogP of 15.97, 34 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylamino)-5-(4-hydroxycyclohexyl)-8-(piperazin-1-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-8-[(4-ethylpiperazin-1-yl)methyl]-5-(4-hydroxycyclohexyl)pyrimido[4,5-c]isoquinolin-6-one;3-(cyclopropylmethylamino)-5-(4-hydroxycyclohexyl)-8-(morpholin-4-ylmethyl)pyrimido[4,5-c]isoquinolin-6-one is sourced from PubChem (CID 159610094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).