4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-ol;N-(1-benzylpiperidin-4-yl)-7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-(piperidin-4-ylmethoxy)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine;tert-butyl 4-[[4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;1-isocyano-4-phenylpiperazine;methyl 2-amino-4-phenylmethoxybenzoate;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-3H-quinazolin-4-one;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-4-(1,2,4-triazol-1-yl)quinazoline;trihydrochloride

C269H307Cl3N50O13 — CID 162077088

IUPAC4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-ol;N-(1-benzylpiperidin-4-yl)-7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-(piperidin-4-ylmethoxy)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine;tert-butyl 4-[[4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;1-isocyano-4-phenylpiperazine;methyl 2-amino-4-phenylmethoxybenzoate;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-3H-quinazolin-4-one;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-4-(1,2,4-triazol-1-yl)quinazoline;trihydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(COc2ccc3c(NC4CCN(Cc5ccccc5)CC4)nc(N4CCN(c5ccccc5)CC4)nc3c2)CC1.COC(=O)c1ccc(OCc2ccccc2)cc1N.Cl.Cl.Cl.O=c1[nH]c(N2CCN(c3ccccc3)CC2)nc2cc(OCc3ccccc3)ccc12.Oc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(N3CCN(c4ccccc4)CC3)nc2c1.[C-]#[N+]N1CCN(c2ccccc2)CC1.c1ccc(CN2CCC(Nc3nc(N4CCN(c5ccccc5)CC4)nc4cc(OCC5CCN(CCNc6ccnc7ccccc67)CC5)ccc34)CC2)cc1.c1ccc(CN2CCC(Nc3nc(N4CCN(c5ccccc5)CC4)nc4cc(OCC5CCNCC5)ccc34)CC2)cc1.c1ccc(COc2ccc3c(-n4cncn4)nc(N4CCN(c5ccccc5)CC4)nc3c2)cc1.c1ccc(COc2ccc3c(NC4CCN(Cc5ccccc5)CC4)nc(N4CCN(c5ccccc5)CC4)nc3c2)cc1
InChIInChI=1S/C47H55N9O.C41H53N7O3.C37H40N6O.C36H45N7O.C30H34N6O.C27H25N7O.C25H24N4O2.C15H15NO3.C11H13N3.3ClH/c1-3-9-36(10-4-1)34-54-26-20-38(21-27-54)50-46-42-16-15-40(33-45(42)51-47(52-46)56-31-29-55(30-32-56)39-11-5-2-6-12-39)57-35-37-18-24-53(25-19-37)28-23-49-44-17-22-48-43-14-8-7-13-41(43)44;1-41(2,3)51-40(49)48-22-16-32(17-23-48)30-50-35-14-15-36-37(28-35)43-39(47-26-24-46(25-27-47)34-12-8-5-9-13-34)44-38(36)42-33-18-20-45(21-19-33)29-31-10-6-4-7-11-31;1-4-10-29(11-5-1)27-41-20-18-31(19-21-41)38-36-34-17-16-33(44-28-30-12-6-2-7-13-30)26-35(34)39-37(40-36)43-24-22-42(23-25-43)32-14-8-3-9-15-32;1-3-7-28(8-4-1)26-41-19-15-30(16-20-41)38-35-33-12-11-32(44-27-29-13-17-37-18-14-29)25-34(33)39-36(40-35)43-23-21-42(22-24-43)31-9-5-2-6-10-31;37-26-11-12-27-28(21-26)32-30(36-19-17-35(18-20-36)25-9-5-2-6-10-25)33-29(27)31-24-13-15-34(16-14-24)22-23-7-3-1-4-8-23;1-3-7-21(8-4-1)18-35-23-11-12-24-25(17-23)30-27(31-26(24)34-20-28-19-29-34)33-15-13-32(14-16-33)22-9-5-2-6-10-22;30-24-22-12-11-21(31-18-19-7-3-1-4-8-19)17-23(22)26-25(27-24)29-15-13-28(14-16-29)20-9-5-2-6-10-20;1-18-15(17)13-8-7-12(9-14(13)16)19-10-11-5-3-2-4-6-11;1-12-14-9-7-13(8-10-14)11-5-3-2-4-6-11;;;/h1-17,22,33,37-38H,18-21,23-32,34-35H2,(H,48,49)(H,50,51,52);4-15,28,32-33H,16-27,29-30H2,1-3H3,(H,42,43,44);1-17,26,31H,18-25,27-28H2,(H,38,39,40);1-12,25,29-30,37H,13-24,26-27H2,(H,38,39,40);1-12,21,24,37H,13-20,22H2,(H,31,32,33);1-12,17,19-20H,13-16,18H2;1-12,17H,13-16,18H2,(H,26,27,30);2-9H,10,16H2,1H3;2-6H,7-10H2;3*1H
InChIKeyLXRDAQYNWGGQCD-UHFFFAOYSA-N
MW4555.11 g/mol
LogP45.09
Rot. Bonds62

About 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-ol;N-(1-benzylpiperidin-4-yl)-7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-(piperidin-4-ylmethoxy)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine;tert-butyl 4-[[4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;1-isocyano-4-phenylpiperazine;methyl 2-amino-4-phenylmethoxybenzoate;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-3H-quinazolin-4-one;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-4-(1,2,4-triazol-1-yl)quinazoline;trihydrochloride

4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-ol;N-(1-benzylpiperidin-4-yl)-7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-(piperidin-4-ylmethoxy)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine;tert-butyl 4-[[4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;1-isocyano-4-phenylpiperazine;methyl 2-amino-4-phenylmethoxybenzoate;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-3H-quinazolin-4-one;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-4-(1,2,4-triazol-1-yl)quinazoline;trihydrochloride (PubChem CID 162077088) has the molecular formula C269H307Cl3N50O13 and a molecular weight of 4555.11 g/mol. Its IUPAC name is 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-ol;N-(1-benzylpiperidin-4-yl)-7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-(piperidin-4-ylmethoxy)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine;tert-butyl 4-[[4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;1-isocyano-4-phenylpiperazine;methyl 2-amino-4-phenylmethoxybenzoate;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-3H-quinazolin-4-one;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-4-(1,2,4-triazol-1-yl)quinazoline;trihydrochloride.

Molecular Properties

Compound Name4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-ol;N-(1-benzylpiperidin-4-yl)-7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-(piperidin-4-ylmethoxy)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine;tert-butyl 4-[[4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;1-isocyano-4-phenylpiperazine;methyl 2-amino-4-phenylmethoxybenzoate;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-3H-quinazolin-4-one;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-4-(1,2,4-triazol-1-yl)quinazoline;trihydrochloride
PubChem CID162077088
Molecular FormulaC269H307Cl3N50O13
Molecular Weight4555.11 g/mol
Exact Mass4550.40
IUPAC Name4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-ol;N-(1-benzylpiperidin-4-yl)-7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-(piperidin-4-ylmethoxy)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine;tert-butyl 4-[[4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;1-isocyano-4-phenylpiperazine;methyl 2-amino-4-phenylmethoxybenzoate;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-3H-quinazolin-4-one;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-4-(1,2,4-triazol-1-yl)quinazoline;trihydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(COc2ccc3c(NC4CCN(Cc5ccccc5)CC4)nc(N4CCN(c5ccccc5)CC4)nc3c2)CC1.COC(=O)c1ccc(OCc2ccccc2)cc1N.Cl.Cl.Cl.O=c1[nH]c(N2CCN(c3ccccc3)CC2)nc2cc(OCc3ccccc3)ccc12.Oc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(N3CCN(c4ccccc4)CC3)nc2c1.[C-]#[N+]N1CCN(c2ccccc2)CC1.c1ccc(CN2CCC(Nc3nc(N4CCN(c5ccccc5)CC4)nc4cc(OCC5CCN(CCNc6ccnc7ccccc67)CC5)ccc34)CC2)cc1.c1ccc(CN2CCC(Nc3nc(N4CCN(c5ccccc5)CC4)nc4cc(OCC5CCNCC5)ccc34)CC2)cc1.c1ccc(COc2ccc3c(-n4cncn4)nc(N4CCN(c5ccccc5)CC4)nc3c2)cc1.c1ccc(COc2ccc3c(NC4CCN(Cc5ccccc5)CC4)nc(N4CCN(c5ccccc5)CC4)nc3c2)cc1
InChIInChI=1S/C47H55N9O.C41H53N7O3.C37H40N6O.C36H45N7O.C30H34N6O.C27H25N7O.C25H24N4O2.C15H15NO3.C11H13N3.3ClH/c1-3-9-36(10-4-1)34-54-26-20-38(21-27-54)50-46-42-16-15-40(33-45(42)51-47(52-46)56-31-29-55(30-32-56)39-11-5-2-6-12-39)57-35-37-18-24-53(25-19-37)28-23-49-44-17-22-48-43-14-8-7-13-41(43)44;1-41(2,3)51-40(49)48-22-16-32(17-23-48)30-50-35-14-15-36-37(28-35)43-39(47-26-24-46(25-27-47)34-12-8-5-9-13-34)44-38(36)42-33-18-20-45(21-19-33)29-31-10-6-4-7-11-31;1-4-10-29(11-5-1)27-41-20-18-31(19-21-41)38-36-34-17-16-33(44-28-30-12-6-2-7-13-30)26-35(34)39-37(40-36)43-24-22-42(23-25-43)32-14-8-3-9-15-32;1-3-7-28(8-4-1)26-41-19-15-30(16-20-41)38-35-33-12-11-32(44-27-29-13-17-37-18-14-29)25-34(33)39-36(40-35)43-23-21-42(22-24-43)31-9-5-2-6-10-31;37-26-11-12-27-28(21-26)32-30(36-19-17-35(18-20-36)25-9-5-2-6-10-25)33-29(27)31-24-13-15-34(16-14-24)22-23-7-3-1-4-8-23;1-3-7-21(8-4-1)18-35-23-11-12-24-25(17-23)30-27(31-26(24)34-20-28-19-29-34)33-15-13-32(14-16-33)22-9-5-2-6-10-22;30-24-22-12-11-21(31-18-19-7-3-1-4-8-19)17-23(22)26-25(27-24)29-15-13-28(14-16-29)20-9-5-2-6-10-20;1-18-15(17)13-8-7-12(9-14(13)16)19-10-11-5-3-2-4-6-11;1-12-14-9-7-13(8-10-14)11-5-3-2-4-6-11;;;/h1-17,22,33,37-38H,18-21,23-32,34-35H2,(H,48,49)(H,50,51,52);4-15,28,32-33H,16-27,29-30H2,1-3H3,(H,42,43,44);1-17,26,31H,18-25,27-28H2,(H,38,39,40);1-12,25,29-30,37H,13-24,26-27H2,(H,38,39,40);1-12,21,24,37H,13-20,22H2,(H,31,32,33);1-12,17,19-20H,13-16,18H2;1-12,17H,13-16,18H2,(H,26,27,30);2-9H,10,16H2,1H3;2-6H,7-10H2;3*1H
InChIKeyLXRDAQYNWGGQCD-UHFFFAOYSA-N
XLogP45.09
TPSA570.58 Ų
H-Bond Donors10
H-Bond Acceptors60
Rotatable Bonds62
Heavy Atoms335
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004555.11
LogP ≤ 545.09
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1060

Analyze 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-ol;N-(1-benzylpiperidin-4-yl)-7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-(piperidin-4-ylmethoxy)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine;tert-butyl 4-[[4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;1-isocyano-4-phenylpiperazine;methyl 2-amino-4-phenylmethoxybenzoate;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-3H-quinazolin-4-one;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-4-(1,2,4-triazol-1-yl)quinazoline;trihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-ol;N-(1-benzylpiperidin-4-yl)-7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-(piperidin-4-ylmethoxy)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine;tert-butyl 4-[[4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;1-isocyano-4-phenylpiperazine;methyl 2-amino-4-phenylmethoxybenzoate;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-3H-quinazolin-4-one;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-4-(1,2,4-triazol-1-yl)quinazoline;trihydrochloride?
The IUPAC name of 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-ol;N-(1-benzylpiperidin-4-yl)-7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-(piperidin-4-ylmethoxy)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine;tert-butyl 4-[[4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;1-isocyano-4-phenylpiperazine;methyl 2-amino-4-phenylmethoxybenzoate;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-3H-quinazolin-4-one;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-4-(1,2,4-triazol-1-yl)quinazoline;trihydrochloride (CID 162077088) is 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-ol;N-(1-benzylpiperidin-4-yl)-7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-(piperidin-4-ylmethoxy)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine;tert-butyl 4-[[4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;1-isocyano-4-phenylpiperazine;methyl 2-amino-4-phenylmethoxybenzoate;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-3H-quinazolin-4-one;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-4-(1,2,4-triazol-1-yl)quinazoline;trihydrochloride.
What is the SMILES notation for 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-ol;N-(1-benzylpiperidin-4-yl)-7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-(piperidin-4-ylmethoxy)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine;tert-butyl 4-[[4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;1-isocyano-4-phenylpiperazine;methyl 2-amino-4-phenylmethoxybenzoate;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-3H-quinazolin-4-one;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-4-(1,2,4-triazol-1-yl)quinazoline;trihydrochloride?
The canonical SMILES for 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-ol;N-(1-benzylpiperidin-4-yl)-7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-(piperidin-4-ylmethoxy)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine;tert-butyl 4-[[4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;1-isocyano-4-phenylpiperazine;methyl 2-amino-4-phenylmethoxybenzoate;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-3H-quinazolin-4-one;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-4-(1,2,4-triazol-1-yl)quinazoline;trihydrochloride is CC(C)(C)OC(=O)N1CCC(COc2ccc3c(NC4CCN(Cc5ccccc5)CC4)nc(N4CCN(c5ccccc5)CC4)nc3c2)CC1.COC(=O)c1ccc(OCc2ccccc2)cc1N.Cl.Cl.Cl.O=c1[nH]c(N2CCN(c3ccccc3)CC2)nc2cc(OCc3ccccc3)ccc12.Oc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(N3CCN(c4ccccc4)CC3)nc2c1.[C-]#[N+]N1CCN(c2ccccc2)CC1.c1ccc(CN2CCC(Nc3nc(N4CCN(c5ccccc5)CC4)nc4cc(OCC5CCN(CCNc6ccnc7ccccc67)CC5)ccc34)CC2)cc1.c1ccc(CN2CCC(Nc3nc(N4CCN(c5ccccc5)CC4)nc4cc(OCC5CCNCC5)ccc34)CC2)cc1.c1ccc(COc2ccc3c(-n4cncn4)nc(N4CCN(c5ccccc5)CC4)nc3c2)cc1.c1ccc(COc2ccc3c(NC4CCN(Cc5ccccc5)CC4)nc(N4CCN(c5ccccc5)CC4)nc3c2)cc1.
What is the InChIKey of 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-ol;N-(1-benzylpiperidin-4-yl)-7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-(piperidin-4-ylmethoxy)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine;tert-butyl 4-[[4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;1-isocyano-4-phenylpiperazine;methyl 2-amino-4-phenylmethoxybenzoate;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-3H-quinazolin-4-one;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-4-(1,2,4-triazol-1-yl)quinazoline;trihydrochloride?
The InChIKey is LXRDAQYNWGGQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H55N9O.C41H53N7O3.C37H40N6O.C36H45N7O.C30H34N6O.C27H25N7O.C25H24N4O2.C15H15NO3.C11H13N3.3ClH/c1-3-9-36(10-4-1)34-54-26-20-38(21-27-54)50-46-42-16-15-40(33-45(42)51-47(52-46)56-31-29-55(30-32-56)39-11-5-2-6-12-39)57-35-37-18-24-53(25-19-37)28-23-49-44-17-22-48-43-14-8-7-13-41(43)44;1-41(2,3)51-40(49)48-22-16-32(17-23-48)30-50-35-14-15-36-37(28-35)43-39(47-26-24-46(25-27-47)34-12-8-5-9-13-34)44-38(36)42-33-18-20-45(21-19-33)29-31-10-6-4-7-11-31;1-4-10-29(11-5-1)27-41-20-18-31(19-21-41)38-36-34-17-16-33(44-28-30-12-6-2-7-13-30)26-35(34)39-37(40-36)43-24-22-42(23-25-43)32-14-8-3-9-15-32;1-3-7-28(8-4-1)26-41-19-15-30(16-20-41)38-35-33-12-11-32(44-27-29-13-17-37-18-14-29)25-34(33)39-36(40-35)43-23-21-42(22-24-43)31-9-5-2-6-10-31;37-26-11-12-27-28(21-26)32-30(36-19-17-35(18-20-36)25-9-5-2-6-10-25)33-29(27)31-24-13-15-34(16-14-24)22-23-7-3-1-4-8-23;1-3-7-21(8-4-1)18-35-23-11-12-24-25(17-23)30-27(31-26(24)34-20-28-19-29-34)33-15-13-32(14-16-33)22-9-5-2-6-10-22;30-24-22-12-11-21(31-18-19-7-3-1-4-8-19)17-23(22)26-25(27-24)29-15-13-28(14-16-29)20-9-5-2-6-10-20;1-18-15(17)13-8-7-12(9-14(13)16)19-10-11-5-3-2-4-6-11;1-12-14-9-7-13(8-10-14)11-5-3-2-4-6-11;;;/h1-17,22,33,37-38H,18-21,23-32,34-35H2,(H,48,49)(H,50,51,52);4-15,28,32-33H,16-27,29-30H2,1-3H3,(H,42,43,44);1-17,26,31H,18-25,27-28H2,(H,38,39,40);1-12,25,29-30,37H,13-24,26-27H2,(H,38,39,40);1-12,21,24,37H,13-20,22H2,(H,31,32,33);1-12,17,19-20H,13-16,18H2;1-12,17H,13-16,18H2,(H,26,27,30);2-9H,10,16H2,1H3;2-6H,7-10H2;3*1H.
What are the key properties of 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-ol;N-(1-benzylpiperidin-4-yl)-7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-(piperidin-4-ylmethoxy)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine;tert-butyl 4-[[4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;1-isocyano-4-phenylpiperazine;methyl 2-amino-4-phenylmethoxybenzoate;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-3H-quinazolin-4-one;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-4-(1,2,4-triazol-1-yl)quinazoline;trihydrochloride?
4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-ol;N-(1-benzylpiperidin-4-yl)-7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-(piperidin-4-ylmethoxy)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine;tert-butyl 4-[[4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;1-isocyano-4-phenylpiperazine;methyl 2-amino-4-phenylmethoxybenzoate;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-3H-quinazolin-4-one;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-4-(1,2,4-triazol-1-yl)quinazoline;trihydrochloride has a molecular weight of 4555.11 g/mol, XLogP of 45.09, 62 rotatable bonds, 10 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-ol;N-(1-benzylpiperidin-4-yl)-7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-(piperidin-4-ylmethoxy)quinazolin-4-amine;N-(1-benzylpiperidin-4-yl)-2-(4-phenylpiperazin-1-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine;tert-butyl 4-[[4-[(1-benzylpiperidin-4-yl)amino]-2-(4-phenylpiperazin-1-yl)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;1-isocyano-4-phenylpiperazine;methyl 2-amino-4-phenylmethoxybenzoate;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-3H-quinazolin-4-one;7-phenylmethoxy-2-(4-phenylpiperazin-1-yl)-4-(1,2,4-triazol-1-yl)quinazoline;trihydrochloride is sourced from PubChem (CID 162077088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).