6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-isoquinolin-7-yloxy-3-methylphenyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-(3-methyl-4-quinolin-6-yloxyphenyl)quinazolin-4-amine

C176H162N30O14S2 — CID 159860027

About 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-isoquinolin-7-yloxy-3-methylphenyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-(3-methyl-4-quinolin-6-yloxyphenyl)quinazolin-4-amine

6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-isoquinolin-7-yloxy-3-methylphenyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-(3-methyl-4-quinolin-6-yloxyphenyl)quinazolin-4-amine (PubChem CID 159860027) has the molecular formula C176H162N30O14S2 and a molecular weight of 2985.56 g/mol. Its IUPAC name is 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-isoquinolin-7-yloxy-3-methylphenyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-(3-methyl-4-quinolin-6-yloxyphenyl)quinazolin-4-amine.

Molecular Properties

• Compound Name: 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-isoquinolin-7-yloxy-3-methylphenyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-(3-methyl-4-quinolin-6-yloxyphenyl)quinazolin-4-amine
• PubChem CID: 159860027
• Molecular Formula: C176H162N30O14S2
• Molecular Weight: 2985.56 g/mol
• Exact Mass: 2983.23
• IUPAC Name: 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-isoquinolin-7-yloxy-3-methylphenyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-(3-methyl-4-quinolin-6-yloxyphenyl)quinazolin-4-amine
• SMILES: Cc1cc(Nc2ncnc3ccc(/N=C4/CC(C)(C)CO4)cc23)ccc1Oc1ccc2ncccc2c1.Cc1cc(Nc2ncnc3ccc(CC4=NC(C)(C)CO4)cc23)ccc1Oc1ccc2ccncc2c1.Cc1nc2cc(Oc3ccc(Nc4ncnc5ccc(/N=C6/CC(C)(C)CO6)cc45)cc3C)ccc2s1.Cc1nc2cc(Oc3ccc(Nc4ncnc5ccc(CC6=NC(C)(C)CO6)cc45)cc3C)ccc2o1.Cc1nc2ccc(Oc3ccc(Nc4ncnc5ccc(/N=C6/CC(C)(C)CO6)cc45)cc3C)cc2s1.Cc1nc2ccc(Oc3ccc(Nc4ncnc5ccc(CC6=NC(C)(C)CO6)cc45)cc3C)cc2o1
• InChI: InChI=1S/2C30H27N5O2.2C29H27N5O3.2C29H27N5O2S/c1-19-12-23(6-9-27(19)37-24-7-5-21-10-11-31-16-22(21)15-24)34-29-25-13-20(4-8-26(25)32-18-33-29)14-28-35-30(2,3)17-36-28;1-19-13-21(7-11-27(19)37-23-8-10-25-20(14-23)5-4-12-31-25)35-29-24-15-22(6-9-26(24)32-18-33-29)34-28-16-30(2,3)17-36-28;1-17-11-20(6-10-25(17)37-21-7-9-24-26(14-21)36-18(2)32-24)33-28-22-12-19(5-8-23(22)30-16-31-28)13-27-34-29(3,4)15-35-27;1-17-11-20(6-9-25(17)37-21-7-10-26-24(14-21)32-18(2)36-26)33-28-22-12-19(5-8-23(22)30-16-31-28)13-27-34-29(3,4)15-35-27;1-17-11-19(6-10-25(17)36-21-7-9-24-26(13-21)37-18(2)32-24)34-28-22-12-20(5-8-23(22)30-16-31-28)33-27-14-29(3,4)15-35-27;1-17-11-19(6-9-25(17)36-21-7-10-26-24(13-21)32-18(2)37-26)34-28-22-12-20(5-8-23(22)30-16-31-28)33-27-14-29(3,4)15-35-27/h4-13,15-16,18H,14,17H2,1-3H3,(H,32,33,34);4-15,18H,16-17H2,1-3H3,(H,32,33,35);2*5-12,14,16H,13,15H2,1-4H3,(H,30,31,33);2*5-13,16H,14-15H2,1-4H3,(H,30,31,34)/b;34-28-;;;2*33-27-
• InChIKey: NRAIOCUBRZDEKC-GEIYHQRKSA-N
• XLogP: 43.36
• TPSA: 515.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 46
• Rotatable Bonds: 33
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2985.56
LogP ≤ 5	43.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-isoquinolin-7-yloxy-3-methylphenyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-(3-methyl-4-quinolin-6-yloxyphenyl)quinazolin-4-amine?

The IUPAC name of 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-isoquinolin-7-yloxy-3-methylphenyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-(3-methyl-4-quinolin-6-yloxyphenyl)quinazolin-4-amine (CID 159860027) is 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-isoquinolin-7-yloxy-3-methylphenyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-(3-methyl-4-quinolin-6-yloxyphenyl)quinazolin-4-amine.

What is the SMILES notation for 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-isoquinolin-7-yloxy-3-methylphenyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-(3-methyl-4-quinolin-6-yloxyphenyl)quinazolin-4-amine?

The canonical SMILES for 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-isoquinolin-7-yloxy-3-methylphenyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-(3-methyl-4-quinolin-6-yloxyphenyl)quinazolin-4-amine is Cc1cc(Nc2ncnc3ccc(/N=C4/CC(C)(C)CO4)cc23)ccc1Oc1ccc2ncccc2c1.Cc1cc(Nc2ncnc3ccc(CC4=NC(C)(C)CO4)cc23)ccc1Oc1ccc2ccncc2c1.Cc1nc2cc(Oc3ccc(Nc4ncnc5ccc(/N=C6/CC(C)(C)CO6)cc45)cc3C)ccc2s1.Cc1nc2cc(Oc3ccc(Nc4ncnc5ccc(CC6=NC(C)(C)CO6)cc45)cc3C)ccc2o1.Cc1nc2ccc(Oc3ccc(Nc4ncnc5ccc(/N=C6/CC(C)(C)CO6)cc45)cc3C)cc2s1.Cc1nc2ccc(Oc3ccc(Nc4ncnc5ccc(CC6=NC(C)(C)CO6)cc45)cc3C)cc2o1.

What is the InChIKey of 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-isoquinolin-7-yloxy-3-methylphenyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-(3-methyl-4-quinolin-6-yloxyphenyl)quinazolin-4-amine?

The InChIKey is NRAIOCUBRZDEKC-GEIYHQRKSA-N. The full InChI is InChI=1S/2C30H27N5O2.2C29H27N5O3.2C29H27N5O2S/c1-19-12-23(6-9-27(19)37-24-7-5-21-10-11-31-16-22(21)15-24)34-29-25-13-20(4-8-26(25)32-18-33-29)14-28-35-30(2,3)17-36-28;1-19-13-21(7-11-27(19)37-23-8-10-25-20(14-23)5-4-12-31-25)35-29-24-15-22(6-9-26(24)32-18-33-29)34-28-16-30(2,3)17-36-28;1-17-11-20(6-10-25(17)37-21-7-9-24-26(14-21)36-18(2)32-24)33-28-22-12-19(5-8-23(22)30-16-31-28)13-27-34-29(3,4)15-35-27;1-17-11-20(6-9-25(17)37-21-7-10-26-24(14-21)32-18(2)36-26)33-28-22-12-19(5-8-23(22)30-16-31-28)13-27-34-29(3,4)15-35-27;1-17-11-19(6-10-25(17)36-21-7-9-24-26(13-21)37-18(2)32-24)34-28-22-12-20(5-8-23(22)30-16-31-28)33-27-14-29(3,4)15-35-27;1-17-11-19(6-9-25(17)36-21-7-10-26-24(13-21)32-18(2)37-26)34-28-22-12-20(5-8-23(22)30-16-31-28)33-27-14-29(3,4)15-35-27/h4-13,15-16,18H,14,17H2,1-3H3,(H,32,33,34);4-15,18H,16-17H2,1-3H3,(H,32,33,35);2*5-12,14,16H,13,15H2,1-4H3,(H,30,31,33);2*5-13,16H,14-15H2,1-4H3,(H,30,31,34)/b;34-28-;;;2*33-27-.

What are the key properties of 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-isoquinolin-7-yloxy-3-methylphenyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-(3-methyl-4-quinolin-6-yloxyphenyl)quinazolin-4-amine?

6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-isoquinolin-7-yloxy-3-methylphenyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-(3-methyl-4-quinolin-6-yloxyphenyl)quinazolin-4-amine has a molecular weight of 2985.56 g/mol, XLogP of 43.36, 33 rotatable bonds, 6 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(4-isoquinolin-7-yloxy-3-methylphenyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(2-methyl-1,3-benzoxazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-[3-methyl-4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyloxolan-2-ylidene)amino]-N-(3-methyl-4-quinolin-6-yloxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 159860027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).