N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide;4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide

C102H138N30O10S6 — CID 162077693

IUPACN-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide;4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide
SMILESCOc1cc2c(N3CCN(C(=S)NCc4ncc[nH]4)CC3)ncnc2cc1OCCCN1CCCCC1.COc1cc2c(N3CCN(C(=S)NCc4ncc[nH]4)CC3)ncnc2cc1OCCCN1CCOCC1.COc1cc2c(N3CCN(C(=S)NCc4nccs4)CC3)ncnc2cc1OCCCN1CCCCC1.COc1cc2c(N3CCN(C(=S)NCc4nccs4)CC3)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C26H36N8O2S.C26H35N7O2S2.C25H34N8O3S.C25H33N7O3S2/c1-35-22-16-20-21(17-23(22)36-15-5-10-32-8-3-2-4-9-32)30-19-31-25(20)33-11-13-34(14-12-33)26(37)29-18-24-27-6-7-28-24;1-34-22-16-20-21(17-23(22)35-14-5-9-31-7-3-2-4-8-31)29-19-30-25(20)32-10-12-33(13-11-32)26(36)28-18-24-27-6-15-37-24;1-34-21-15-19-20(16-22(21)36-12-2-5-31-10-13-35-14-11-31)29-18-30-24(19)32-6-8-33(9-7-32)25(37)28-17-23-26-3-4-27-23;1-33-21-15-19-20(16-22(21)35-11-2-4-30-9-12-34-13-10-30)28-18-29-24(19)31-5-7-32(8-6-31)25(36)27-17-23-26-3-14-37-23/h6-7,16-17,19H,2-5,8-15,18H2,1H3,(H,27,28)(H,29,37);6,15-17,19H,2-5,7-14,18H2,1H3,(H,28,36);3-4,15-16,18H,2,5-14,17H2,1H3,(H,26,27)(H,28,37);3,14-16,18H,2,4-13,17H2,1H3,(H,27,36)
InChIKeyZBXPHRZTDMSPAQ-UHFFFAOYSA-N
MW2136.83 g/mol
LogP10.41
Rot. Bonds36

About N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide;4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide

N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide;4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide (PubChem CID 162077693) has the molecular formula C102H138N30O10S6 and a molecular weight of 2136.83 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide;4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide;4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide
PubChem CID162077693
Molecular FormulaC102H138N30O10S6
Molecular Weight2136.83 g/mol
Exact Mass2134.95
IUPAC NameN-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide;4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide
SMILESCOc1cc2c(N3CCN(C(=S)NCc4ncc[nH]4)CC3)ncnc2cc1OCCCN1CCCCC1.COc1cc2c(N3CCN(C(=S)NCc4ncc[nH]4)CC3)ncnc2cc1OCCCN1CCOCC1.COc1cc2c(N3CCN(C(=S)NCc4nccs4)CC3)ncnc2cc1OCCCN1CCCCC1.COc1cc2c(N3CCN(C(=S)NCc4nccs4)CC3)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C26H36N8O2S.C26H35N7O2S2.C25H34N8O3S.C25H33N7O3S2/c1-35-22-16-20-21(17-23(22)36-15-5-10-32-8-3-2-4-9-32)30-19-31-25(20)33-11-13-34(14-12-33)26(37)29-18-24-27-6-7-28-24;1-34-22-16-20-21(17-23(22)35-14-5-9-31-7-3-2-4-8-31)29-19-30-25(20)32-10-12-33(13-11-32)26(36)28-18-24-27-6-15-37-24;1-34-21-15-19-20(16-22(21)36-12-2-5-31-10-13-35-14-11-31)29-18-30-24(19)32-6-8-33(9-7-32)25(37)28-17-23-26-3-4-27-23;1-33-21-15-19-20(16-22(21)35-11-2-4-30-9-12-34-13-10-30)28-18-29-24(19)31-5-7-32(8-6-31)25(36)27-17-23-26-3-14-37-23/h6-7,16-17,19H,2-5,8-15,18H2,1H3,(H,27,28)(H,29,37);6,15-17,19H,2-5,7-14,18H2,1H3,(H,28,36);3-4,15-16,18H,2,5-14,17H2,1H3,(H,26,27)(H,28,37);3,14-16,18H,2,4-13,17H2,1H3,(H,27,36)
InChIKeyZBXPHRZTDMSPAQ-UHFFFAOYSA-N
XLogP10.41
TPSA365.56 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds36
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002136.83
LogP ≤ 510.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide;4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide with MolForge

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Related Compounds

4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-yl)piperazine-1-carbothioamide
CID 44394842
Tris[2-[4-[3-[4-[[5-[2-(2,3-difluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperazin-1-yl]ethyl] phosphate
CID 87997668
2-chloro-N-(1,1-dioxothian-4-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-N-(1,1-dioxothian-4-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;N-(1,1-dioxothian-3-yl)-6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-imidazol-1-yl-6-methoxy-N-(oxan-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-N,2-N-dimethyl-4-N-[(3S)-oxan-3-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazoline-2,4-diamine
CID 164054108
2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(pyridin-2-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(pyridin-3-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(pyridin-4-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;2-(4,4-difluoropiperidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-N-(trifluoromethyl)quinazolin-4-amine
CID 164163307
N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide
CID 10142282
N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide
CID 10186582
4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide
CID 10186631
4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide
CID 10209145
4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide
CID 10302526
4-N-[1-[[2-(dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]-6,7-dimethoxy-2-N-[2-(1,3-thiazol-2-yl)ethyl]quinazoline-2,4-diamine
CID 58006143
4-N-[1-[[2-(dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]-6,7-dimethoxy-2-N-(1,3-thiazol-2-ylmethyl)quinazoline-2,4-diamine
CID 58006266
4-N-[1-[[2-(dimethylamino)-6-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-4-yl]-6,7-dimethoxy-2-N-(1,3-thiazol-5-ylmethyl)quinazoline-2,4-diamine
CID 58006267

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide;4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide;4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide (CID 162077693) is N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide;4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide;4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide;4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide is COc1cc2c(N3CCN(C(=S)NCc4ncc[nH]4)CC3)ncnc2cc1OCCCN1CCCCC1.COc1cc2c(N3CCN(C(=S)NCc4ncc[nH]4)CC3)ncnc2cc1OCCCN1CCOCC1.COc1cc2c(N3CCN(C(=S)NCc4nccs4)CC3)ncnc2cc1OCCCN1CCCCC1.COc1cc2c(N3CCN(C(=S)NCc4nccs4)CC3)ncnc2cc1OCCCN1CCOCC1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide;4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide?
The InChIKey is ZBXPHRZTDMSPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N8O2S.C26H35N7O2S2.C25H34N8O3S.C25H33N7O3S2/c1-35-22-16-20-21(17-23(22)36-15-5-10-32-8-3-2-4-9-32)30-19-31-25(20)33-11-13-34(14-12-33)26(37)29-18-24-27-6-7-28-24;1-34-22-16-20-21(17-23(22)35-14-5-9-31-7-3-2-4-8-31)29-19-30-25(20)32-10-12-33(13-11-32)26(36)28-18-24-27-6-15-37-24;1-34-21-15-19-20(16-22(21)36-12-2-5-31-10-13-35-14-11-31)29-18-30-24(19)32-6-8-33(9-7-32)25(37)28-17-23-26-3-4-27-23;1-33-21-15-19-20(16-22(21)35-11-2-4-30-9-12-34-13-10-30)28-18-29-24(19)31-5-7-32(8-6-31)25(36)27-17-23-26-3-14-37-23/h6-7,16-17,19H,2-5,8-15,18H2,1H3,(H,27,28)(H,29,37);6,15-17,19H,2-5,7-14,18H2,1H3,(H,28,36);3-4,15-16,18H,2,5-14,17H2,1H3,(H,26,27)(H,28,37);3,14-16,18H,2,4-13,17H2,1H3,(H,27,36).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide;4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide?
N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide;4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide has a molecular weight of 2136.83 g/mol, XLogP of 10.41, 36 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;N-(1H-imidazol-2-ylmethyl)-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbothioamide;4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide;4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carbothioamide is sourced from PubChem (CID 162077693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).