6-[5-[(dimethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methanol

C168H150N48O19S3 — CID 157369111

IUPAC6-[5-[(dimethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methanol
SMILESCc1cc(Nc2ncnc3ccc(-c4cc(CN5CCS(=O)(=O)CC5)co4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(-c4cc(CNCCS(C)(=O)=O)co4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(-c4ccc(CN(C)C)o4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(-c4ccc(CN5CCN(C)CC5)o4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(-c4ccc(CN5CCS(=O)(=O)CC5)o4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(-c4ccc(CO)o4)cc23)ccc1Oc1cc2nncn2cn1
InChIInChI=1S/C30H29N9O2.2C29H26N8O4S.C28H26N8O4S.C27H24N8O2.C25H19N7O3/c1-20-13-22(4-7-26(20)41-29-15-28-36-34-19-39(28)18-33-29)35-30-24-14-21(3-6-25(24)31-17-32-30)27-8-5-23(40-27)16-38-11-9-37(2)10-12-38;1-19-12-21(3-6-25(19)41-28-14-27-35-33-18-37(27)17-32-28)34-29-23-13-20(2-5-24(23)30-16-31-29)26-7-4-22(40-26)15-36-8-10-42(38,39)11-9-36;1-19-10-22(3-5-25(19)41-28-13-27-35-33-18-37(27)17-32-28)34-29-23-12-21(2-4-24(23)30-16-31-29)26-11-20(15-40-26)14-36-6-8-42(38,39)9-7-36;1-18-9-21(4-6-24(18)40-27-12-26-35-33-17-36(26)16-32-27)34-28-22-11-20(3-5-23(22)30-15-31-28)25-10-19(14-39-25)13-29-7-8-41(2,37)38;1-17-10-19(5-8-23(17)37-26-12-25-33-31-16-35(25)15-30-26)32-27-21-11-18(4-7-22(21)28-14-29-27)24-9-6-20(36-24)13-34(2)3;1-15-8-17(3-6-21(15)35-24-10-23-31-29-14-32(23)13-28-24)30-25-19-9-16(2-5-20(19)26-12-27-25)22-7-4-18(11-33)34-22/h3-8,13-15,17-19H,9-12,16H2,1-2H3,(H,31,32,35);2-7,12-14,16-18H,8-11,15H2,1H3,(H,30,31,34);2-5,10-13,15-18H,6-9,14H2,1H3,(H,30,31,34);3-6,9-12,14-17,29H,7-8,13H2,1-2H3,(H,30,31,34);4-12,14-16H,13H2,1-3H3,(H,28,29,32);2-10,12-14,33H,11H2,1H3,(H,26,27,30)
InChIKeyBJNRUOHTILNMBY-UHFFFAOYSA-N
MW3241.57 g/mol
LogP27.93
Rot. Bonds44

About 6-[5-[(dimethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methanol

6-[5-[(dimethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methanol (PubChem CID 157369111) has the molecular formula C168H150N48O19S3 and a molecular weight of 3241.57 g/mol. Its IUPAC name is 6-[5-[(dimethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name6-[5-[(dimethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methanol
PubChem CID157369111
Molecular FormulaC168H150N48O19S3
Molecular Weight3241.57 g/mol
Exact Mass3239.14
IUPAC Name6-[5-[(dimethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methanol
SMILESCc1cc(Nc2ncnc3ccc(-c4cc(CN5CCS(=O)(=O)CC5)co4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(-c4cc(CNCCS(C)(=O)=O)co4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(-c4ccc(CN(C)C)o4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(-c4ccc(CN5CCN(C)CC5)o4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(-c4ccc(CN5CCS(=O)(=O)CC5)o4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(-c4ccc(CO)o4)cc23)ccc1Oc1cc2nncn2cn1
InChIInChI=1S/C30H29N9O2.2C29H26N8O4S.C28H26N8O4S.C27H24N8O2.C25H19N7O3/c1-20-13-22(4-7-26(20)41-29-15-28-36-34-19-39(28)18-33-29)35-30-24-14-21(3-6-25(24)31-17-32-30)27-8-5-23(40-27)16-38-11-9-37(2)10-12-38;1-19-12-21(3-6-25(19)41-28-14-27-35-33-18-37(27)17-32-28)34-29-23-13-20(2-5-24(23)30-16-31-29)26-7-4-22(40-26)15-36-8-10-42(38,39)11-9-36;1-19-10-22(3-5-25(19)41-28-13-27-35-33-18-37(27)17-32-28)34-29-23-12-21(2-4-24(23)30-16-31-29)26-11-20(15-40-26)14-36-6-8-42(38,39)9-7-36;1-18-9-21(4-6-24(18)40-27-12-26-35-33-17-36(26)16-32-27)34-28-22-11-20(3-5-23(22)30-15-31-28)25-10-19(14-39-25)13-29-7-8-41(2,37)38;1-17-10-19(5-8-23(17)37-26-12-25-33-31-16-35(25)15-30-26)32-27-21-11-18(4-7-22(21)28-14-29-27)24-9-6-20(36-24)13-34(2)3;1-15-8-17(3-6-21(15)35-24-10-23-31-29-14-32(23)13-28-24)30-25-19-9-16(2-5-20(19)26-12-27-25)22-7-4-18(11-33)34-22/h3-8,13-15,17-19H,9-12,16H2,1-2H3,(H,31,32,35);2-7,12-14,16-18H,8-11,15H2,1H3,(H,30,31,34);2-5,10-13,15-18H,6-9,14H2,1H3,(H,30,31,34);3-6,9-12,14-17,29H,7-8,13H2,1-2H3,(H,30,31,34);4-12,14-16H,13H2,1-3H3,(H,28,29,32);2-10,12-14,33H,11H2,1H3,(H,26,27,30)
InChIKeyBJNRUOHTILNMBY-UHFFFAOYSA-N
XLogP27.93
TPSA770.44 Ų
H-Bond Donors8
H-Bond Acceptors67
Rotatable Bonds44
Heavy Atoms238
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003241.57
LogP ≤ 527.93
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1067

Computed Properties (RDKit)

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

Analyze 6-[5-[(dimethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[(dimethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methanol?
The IUPAC name of 6-[5-[(dimethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methanol (CID 157369111) is 6-[5-[(dimethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methanol.
What is the SMILES notation for 6-[5-[(dimethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methanol?
The canonical SMILES for 6-[5-[(dimethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methanol is Cc1cc(Nc2ncnc3ccc(-c4cc(CN5CCS(=O)(=O)CC5)co4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(-c4cc(CNCCS(C)(=O)=O)co4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(-c4ccc(CN(C)C)o4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(-c4ccc(CN5CCN(C)CC5)o4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(-c4ccc(CN5CCS(=O)(=O)CC5)o4)cc23)ccc1Oc1cc2nncn2cn1.Cc1cc(Nc2ncnc3ccc(-c4ccc(CO)o4)cc23)ccc1Oc1cc2nncn2cn1.
What is the InChIKey of 6-[5-[(dimethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methanol?
The InChIKey is BJNRUOHTILNMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N9O2.2C29H26N8O4S.C28H26N8O4S.C27H24N8O2.C25H19N7O3/c1-20-13-22(4-7-26(20)41-29-15-28-36-34-19-39(28)18-33-29)35-30-24-14-21(3-6-25(24)31-17-32-30)27-8-5-23(40-27)16-38-11-9-37(2)10-12-38;1-19-12-21(3-6-25(19)41-28-14-27-35-33-18-37(27)17-32-28)34-29-23-13-20(2-5-24(23)30-16-31-29)26-7-4-22(40-26)15-36-8-10-42(38,39)11-9-36;1-19-10-22(3-5-25(19)41-28-13-27-35-33-18-37(27)17-32-28)34-29-23-12-21(2-4-24(23)30-16-31-29)26-11-20(15-40-26)14-36-6-8-42(38,39)9-7-36;1-18-9-21(4-6-24(18)40-27-12-26-35-33-17-36(26)16-32-27)34-28-22-11-20(3-5-23(22)30-15-31-28)25-10-19(14-39-25)13-29-7-8-41(2,37)38;1-17-10-19(5-8-23(17)37-26-12-25-33-31-16-35(25)15-30-26)32-27-21-11-18(4-7-22(21)28-14-29-27)24-9-6-20(36-24)13-34(2)3;1-15-8-17(3-6-21(15)35-24-10-23-31-29-14-32(23)13-28-24)30-25-19-9-16(2-5-20(19)26-12-27-25)22-7-4-18(11-33)34-22/h3-8,13-15,17-19H,9-12,16H2,1-2H3,(H,31,32,35);2-7,12-14,16-18H,8-11,15H2,1H3,(H,30,31,34);2-5,10-13,15-18H,6-9,14H2,1H3,(H,30,31,34);3-6,9-12,14-17,29H,7-8,13H2,1-2H3,(H,30,31,34);4-12,14-16H,13H2,1-3H3,(H,28,29,32);2-10,12-14,33H,11H2,1H3,(H,26,27,30).
What are the key properties of 6-[5-[(dimethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methanol?
6-[5-[(dimethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methanol has a molecular weight of 3241.57 g/mol, XLogP of 27.93, 44 rotatable bonds, 8 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(dimethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]furan-2-yl]methanol is sourced from PubChem (CID 157369111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).