1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-2-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-5-yl]-3-phenylurea;1-[5-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]-2-pyridinyl]-3-phenylurea

C120H127N31O18S — CID 159975289

About 1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-2-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-5-yl]-3-phenylurea;1-[5-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]-2-pyridinyl]-3-phenylurea

1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-2-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-5-yl]-3-phenylurea;1-[5-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]-2-pyridinyl]-3-phenylurea (PubChem CID 159975289) has the molecular formula C120H127N31O18S and a molecular weight of 2323.60 g/mol. Its IUPAC name is 1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-2-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-5-yl]-3-phenylurea;1-[5-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]-2-pyridinyl]-3-phenylurea.

Molecular Properties

• Compound Name: 1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-2-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-5-yl]-3-phenylurea;1-[5-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]-2-pyridinyl]-3-phenylurea
• PubChem CID: 159975289
• Molecular Formula: C120H127N31O18S
• Molecular Weight: 2323.60 g/mol
• Exact Mass: 2321.97
• IUPAC Name: 1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-2-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-5-yl]-3-phenylurea;1-[5-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]-2-pyridinyl]-3-phenylurea
• SMILES: CCN(CCO)CCCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4ccccc4)nc3)c2cc1OC.COc1cc2ncnc(NCCc3ccc(NC(=O)Nc4ccccc4)nc3)c2cc1OC.COc1cc2ncnc(NCCc3cnc(NC(=O)Nc4ccccc4)o3)c2cc1OC.COc1cc2ncnc(NCCc3ncc(NC(=O)Nc4ccccc4)o3)c2cc1OC.COc1cc2ncnc(NCCc3ncc(NC(=O)Nc4ccccc4)s3)c2cc1OC
• InChI: InChI=1S/C30H37N7O4.C24H24N6O3.2C22H22N6O4.C22H22N6O3S/c1-3-37(15-16-38)14-7-17-41-27-19-25-24(18-26(27)40-2)29(34-21-33-25)31-13-12-22-10-11-28(32-20-22)36-30(39)35-23-8-5-4-6-9-23;1-32-20-12-18-19(13-21(20)33-2)27-15-28-23(18)25-11-10-16-8-9-22(26-14-16)30-24(31)29-17-6-4-3-5-7-17;1-30-17-10-15-16(11-18(17)31-2)25-13-26-21(15)23-9-8-19-24-12-20(32-19)28-22(29)27-14-6-4-3-5-7-14;1-30-18-10-16-17(11-19(18)31-2)25-13-26-20(16)23-9-8-15-12-24-22(32-15)28-21(29)27-14-6-4-3-5-7-14;1-30-17-10-15-16(11-18(17)31-2)25-13-26-21(15)23-9-8-19-24-12-20(32-19)28-22(29)27-14-6-4-3-5-7-14/h4-6,8-11,18-21,38H,3,7,12-17H2,1-2H3,(H,31,33,34)(H2,32,35,36,39);3-9,12-15H,10-11H2,1-2H3,(H,25,27,28)(H2,26,29,30,31);3-7,10-13H,8-9H2,1-2H3,(H,23,25,26)(H2,27,28,29);3-7,10-13H,8-9H2,1-2H3,(H,23,25,26)(H2,24,27,28,29);3-7,10-13H,8-9H2,1-2H3,(H,23,25,26)(H2,27,28,29)
• InChIKey: OFBOUARTZHQGTA-UHFFFAOYSA-N
• XLogP: 21.02
• TPSA: 601.20 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 40
• Rotatable Bonds: 47
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2323.60
LogP ≤ 5	21.02
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-2-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-5-yl]-3-phenylurea;1-[5-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]-2-pyridinyl]-3-phenylurea?

The IUPAC name of 1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-2-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-5-yl]-3-phenylurea;1-[5-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]-2-pyridinyl]-3-phenylurea (CID 159975289) is 1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-2-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-5-yl]-3-phenylurea;1-[5-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]-2-pyridinyl]-3-phenylurea.

What is the SMILES notation for 1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-2-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-5-yl]-3-phenylurea;1-[5-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]-2-pyridinyl]-3-phenylurea?

The canonical SMILES for 1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-2-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-5-yl]-3-phenylurea;1-[5-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]-2-pyridinyl]-3-phenylurea is CCN(CCO)CCCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4ccccc4)nc3)c2cc1OC.COc1cc2ncnc(NCCc3ccc(NC(=O)Nc4ccccc4)nc3)c2cc1OC.COc1cc2ncnc(NCCc3cnc(NC(=O)Nc4ccccc4)o3)c2cc1OC.COc1cc2ncnc(NCCc3ncc(NC(=O)Nc4ccccc4)o3)c2cc1OC.COc1cc2ncnc(NCCc3ncc(NC(=O)Nc4ccccc4)s3)c2cc1OC.

What is the InChIKey of 1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-2-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-5-yl]-3-phenylurea;1-[5-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]-2-pyridinyl]-3-phenylurea?

The InChIKey is OFBOUARTZHQGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N7O4.C24H24N6O3.2C22H22N6O4.C22H22N6O3S/c1-3-37(15-16-38)14-7-17-41-27-19-25-24(18-26(27)40-2)29(34-21-33-25)31-13-12-22-10-11-28(32-20-22)36-30(39)35-23-8-5-4-6-9-23;1-32-20-12-18-19(13-21(20)33-2)27-15-28-23(18)25-11-10-16-8-9-22(26-14-16)30-24(31)29-17-6-4-3-5-7-17;1-30-17-10-15-16(11-18(17)31-2)25-13-26-21(15)23-9-8-19-24-12-20(32-19)28-22(29)27-14-6-4-3-5-7-14;1-30-18-10-16-17(11-19(18)31-2)25-13-26-20(16)23-9-8-15-12-24-22(32-15)28-21(29)27-14-6-4-3-5-7-14;1-30-17-10-15-16(11-18(17)31-2)25-13-26-21(15)23-9-8-19-24-12-20(32-19)28-22(29)27-14-6-4-3-5-7-14/h4-6,8-11,18-21,38H,3,7,12-17H2,1-2H3,(H,31,33,34)(H2,32,35,36,39);3-9,12-15H,10-11H2,1-2H3,(H,25,27,28)(H2,26,29,30,31);3-7,10-13H,8-9H2,1-2H3,(H,23,25,26)(H2,27,28,29);3-7,10-13H,8-9H2,1-2H3,(H,23,25,26)(H2,24,27,28,29);3-7,10-13H,8-9H2,1-2H3,(H,23,25,26)(H2,27,28,29).

What are the key properties of 1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-2-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-5-yl]-3-phenylurea;1-[5-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]-2-pyridinyl]-3-phenylurea?

1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-2-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-5-yl]-3-phenylurea;1-[5-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]-2-pyridinyl]-3-phenylurea has a molecular weight of 2323.60 g/mol, XLogP of 21.02, 47 rotatable bonds, 16 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-5-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-oxazol-2-yl]-3-phenylurea;1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-2-pyridinyl]-3-phenylurea;1-[2-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]-1,3-thiazol-5-yl]-3-phenylurea;1-[5-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]-2-pyridinyl]-3-phenylurea is sourced from PubChem (CID 159975289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).