2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide

C117H100N36O8S3 — CID 158294440

About 2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide

2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide (PubChem CID 158294440) has the molecular formula C117H100N36O8S3 and a molecular weight of 2234.53 g/mol. Its IUPAC name is 2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide
• PubChem CID: 158294440
• Molecular Formula: C117H100N36O8S3
• Molecular Weight: 2234.53 g/mol
• Exact Mass: 2232.77
• IUPAC Name: 2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide
• SMILES: CC(=O)Nc1ccc(Oc2nc(Nc3nncs3)c3ccccc3n2)cc1.CCN(CCc1ccccc1)c1nc(Nc2cnco2)c2ccccc2n1.CN(C)CCOc1ccc2c(Nc3nncs3)nc(Cc3ccc(C#N)cc3)nc2c1.COc1ccc2c(Nc3ocnc3C3CC3)nc(Oc3ccc(CC#N)cc3)nc2c1.Cc1ncsc1Nc1nc(-c2ccccc2)nc2cc[nH]c12.c1cc2c(Nc3nnco3)nc(Cc3ccc4[nH]ncc4c3)nc2cn1
• InChI: InChI=1S/C23H19N5O3.C22H21N7OS.C21H21N5O.C18H14N6O2S.C17H12N8O.C16H13N5S/c1-29-17-8-9-18-19(12-17)26-23(31-16-6-2-14(3-7-16)10-11-24)28-21(18)27-22-20(15-4-5-15)25-13-30-22;1-29(2)9-10-30-17-7-8-18-19(12-17)25-20(11-15-3-5-16(13-23)6-4-15)26-21(18)27-22-28-24-14-31-22;1-2-26(13-12-16-8-4-3-5-9-16)21-23-18-11-7-6-10-17(18)20(25-21)24-19-14-22-15-27-19;1-11(25)20-12-6-8-13(9-7-12)26-17-21-15-5-3-2-4-14(15)16(22-17)23-18-24-19-10-27-18;1-2-13-11(7-19-24-13)5-10(1)6-15-21-14-8-18-4-3-12(14)16(22-15)23-17-25-20-9-26-17;1-10-16(22-9-18-10)21-15-13-12(7-8-17-13)19-14(20-15)11-5-3-2-4-6-11/h2-3,6-9,12-13,15H,4-5,10H2,1H3,(H,26,27,28);3-8,12,14H,9-11H2,1-2H3,(H,25,26,27,28);3-11,14-15H,2,12-13H2,1H3,(H,23,24,25);2-10H,1H3,(H,20,25)(H,21,22,23,24);1-5,7-9H,6H2,(H,19,24)(H,21,22,23,25);2-9,17H,1H3,(H,19,20,21)
• InChIKey: GLSUPBHDOVECFG-UHFFFAOYSA-N
• XLogP: 23.89
• TPSA: 559.73 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 44
• Rotatable Bonds: 34
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2234.53
LogP ≤ 5	23.89
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide?

The IUPAC name of 2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide (CID 158294440) is 2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide.

What is the SMILES notation for 2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide?

The canonical SMILES for 2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide is CC(=O)Nc1ccc(Oc2nc(Nc3nncs3)c3ccccc3n2)cc1.CCN(CCc1ccccc1)c1nc(Nc2cnco2)c2ccccc2n1.CN(C)CCOc1ccc2c(Nc3nncs3)nc(Cc3ccc(C#N)cc3)nc2c1.COc1ccc2c(Nc3ocnc3C3CC3)nc(Oc3ccc(CC#N)cc3)nc2c1.Cc1ncsc1Nc1nc(-c2ccccc2)nc2cc[nH]c12.c1cc2c(Nc3nnco3)nc(Cc3ccc4[nH]ncc4c3)nc2cn1.

What is the InChIKey of 2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide?

The InChIKey is GLSUPBHDOVECFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3.C22H21N7OS.C21H21N5O.C18H14N6O2S.C17H12N8O.C16H13N5S/c1-29-17-8-9-18-19(12-17)26-23(31-16-6-2-14(3-7-16)10-11-24)28-21(18)27-22-20(15-4-5-15)25-13-30-22;1-29(2)9-10-30-17-7-8-18-19(12-17)25-20(11-15-3-5-16(13-23)6-4-15)26-21(18)27-22-28-24-14-31-22;1-2-26(13-12-16-8-4-3-5-9-16)21-23-18-11-7-6-10-17(18)20(25-21)24-19-14-22-15-27-19;1-11(25)20-12-6-8-13(9-7-12)26-17-21-15-5-3-2-4-14(15)16(22-17)23-18-24-19-10-27-18;1-2-13-11(7-19-24-13)5-10(1)6-15-21-14-8-18-4-3-12(14)16(22-15)23-17-25-20-9-26-17;1-10-16(22-9-18-10)21-15-13-12(7-8-17-13)19-14(20-15)11-5-3-2-4-6-11/h2-3,6-9,12-13,15H,4-5,10H2,1H3,(H,26,27,28);3-8,12,14H,9-11H2,1-2H3,(H,25,26,27,28);3-11,14-15H,2,12-13H2,1H3,(H,23,24,25);2-10H,1H3,(H,20,25)(H,21,22,23,24);1-5,7-9H,6H2,(H,19,24)(H,21,22,23,25);2-9,17H,1H3,(H,19,20,21).

What are the key properties of 2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide?

2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide has a molecular weight of 2234.53 g/mol, XLogP of 23.89, 34 rotatable bonds, 9 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[(4-cyclopropyl-1,3-oxazol-5-yl)amino]-7-methoxyquinazolin-2-yl]oxyphenyl]acetonitrile;4-[[7-[2-(dimethylamino)ethoxy]-4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]methyl]benzonitrile;2-N-ethyl-4-N-(1,3-oxazol-5-yl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine;N-[2-(1H-indazol-5-ylmethyl)pyrido[3,4-d]pyrimidin-4-yl]-1,3,4-oxadiazol-2-amine;4-methyl-N-(2-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-thiazol-5-amine;N-[4-[4-(1,3,4-thiadiazol-2-ylamino)quinazolin-2-yl]oxyphenyl]acetamide is sourced from PubChem (CID 158294440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).