1-[4-[2-[(5,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[2-[(dimethylamino)methyl]phenyl]-3-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-5-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;2-[ethyl-[3-[5-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate;1-[4-[2-[[7-[3-(4-hydroxypiperidin-1-yl)propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-pyridin-3-ylurea

C172H199N36O22P — CID 162160275

IUPAC1-[4-[2-[(5,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[2-[(dimethylamino)methyl]phenyl]-3-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-5-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;2-[ethyl-[3-[5-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate;1-[4-[2-[[7-[3-(4-hydroxypiperidin-1-yl)propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-pyridin-3-ylurea
SMILESCCN(CCCOc1cc(OC)c2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2c1)CCOP(=O)(O)O.CCN(CCO)CCCOc1cc(OC)c2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2c1.COc1cc(OC)c2c(NCCc3ccc(NC(=O)Nc4ccccc4CN(C)C)cc3)ncnc2c1.COc1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2cc1OCCCN1CCC(O)CC1.COc1ccc2c(NCCc3ccc(NC(=O)Nc4ccccc4CN(C)C)cc3)ncnc2c1.COc1ccc2c(NCCc3ccc(NC(=O)Nc4cccnc4)cc3)ncnc2c1
InChIInChI=1S/C32H38N6O4.C31H39N6O7P.C31H38N6O4.C28H32N6O3.C27H30N6O2.C23H22N6O2/c1-41-29-20-27-28(21-30(29)42-19-5-16-38-17-13-26(39)14-18-38)34-22-35-31(27)33-15-12-23-8-10-25(11-9-23)37-32(40)36-24-6-3-2-4-7-24;1-3-37(17-19-44-45(39,40)41)16-7-18-43-26-20-27-29(28(21-26)42-2)30(34-22-33-27)32-15-14-23-10-12-25(13-11-23)36-31(38)35-24-8-5-4-6-9-24;1-3-37(17-18-38)16-7-19-41-26-20-27-29(28(21-26)40-2)30(34-22-33-27)32-15-14-23-10-12-25(13-11-23)36-31(39)35-24-8-5-4-6-9-24;1-34(2)17-20-7-5-6-8-23(20)33-28(35)32-21-11-9-19(10-12-21)13-14-29-27-26-24(30-18-31-27)15-22(36-3)16-25(26)37-4;1-33(2)17-20-6-4-5-7-24(20)32-27(34)31-21-10-8-19(9-11-21)14-15-28-26-23-13-12-22(35-3)16-25(23)29-18-30-26;1-31-19-8-9-20-21(13-19)26-15-27-22(20)25-12-10-16-4-6-17(7-5-16)28-23(30)29-18-3-2-11-24-14-18/h2-4,6-11,20-22,26,39H,5,12-19H2,1H3,(H,33,34,35)(H2,36,37,40);4-6,8-13,20-22H,3,7,14-19H2,1-2H3,(H,32,33,34)(H2,35,36,38)(H2,39,40,41);4-6,8-13,20-22,38H,3,7,14-19H2,1-2H3,(H,32,33,34)(H2,35,36,39);5-12,15-16,18H,13-14,17H2,1-4H3,(H,29,30,31)(H2,32,33,35);4-13,16,18H,14-15,17H2,1-3H3,(H,28,29,30)(H2,31,32,34);2-9,11,13-15H,10,12H2,1H3,(H,25,26,27)(H2,28,29,30)
InChIKeyZMJNTIQXFRJEFZ-UHFFFAOYSA-N
MW3153.69 g/mol
LogP29.66
Rot. Bonds70

About 1-[4-[2-[(5,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[2-[(dimethylamino)methyl]phenyl]-3-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-5-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;2-[ethyl-[3-[5-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate;1-[4-[2-[[7-[3-(4-hydroxypiperidin-1-yl)propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-pyridin-3-ylurea

1-[4-[2-[(5,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[2-[(dimethylamino)methyl]phenyl]-3-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-5-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;2-[ethyl-[3-[5-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate;1-[4-[2-[[7-[3-(4-hydroxypiperidin-1-yl)propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-pyridin-3-ylurea (PubChem CID 162160275) has the molecular formula C172H199N36O22P and a molecular weight of 3153.69 g/mol. Its IUPAC name is 1-[4-[2-[(5,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[2-[(dimethylamino)methyl]phenyl]-3-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-5-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;2-[ethyl-[3-[5-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate;1-[4-[2-[[7-[3-(4-hydroxypiperidin-1-yl)propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[4-[2-[(5,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[2-[(dimethylamino)methyl]phenyl]-3-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-5-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;2-[ethyl-[3-[5-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate;1-[4-[2-[[7-[3-(4-hydroxypiperidin-1-yl)propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-pyridin-3-ylurea
PubChem CID162160275
Molecular FormulaC172H199N36O22P
Molecular Weight3153.69 g/mol
Exact Mass3151.53
IUPAC Name1-[4-[2-[(5,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[2-[(dimethylamino)methyl]phenyl]-3-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-5-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;2-[ethyl-[3-[5-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate;1-[4-[2-[[7-[3-(4-hydroxypiperidin-1-yl)propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-pyridin-3-ylurea
SMILESCCN(CCCOc1cc(OC)c2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2c1)CCOP(=O)(O)O.CCN(CCO)CCCOc1cc(OC)c2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2c1.COc1cc(OC)c2c(NCCc3ccc(NC(=O)Nc4ccccc4CN(C)C)cc3)ncnc2c1.COc1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2cc1OCCCN1CCC(O)CC1.COc1ccc2c(NCCc3ccc(NC(=O)Nc4ccccc4CN(C)C)cc3)ncnc2c1.COc1ccc2c(NCCc3ccc(NC(=O)Nc4cccnc4)cc3)ncnc2c1
InChIInChI=1S/C32H38N6O4.C31H39N6O7P.C31H38N6O4.C28H32N6O3.C27H30N6O2.C23H22N6O2/c1-41-29-20-27-28(21-30(29)42-19-5-16-38-17-13-26(39)14-18-38)34-22-35-31(27)33-15-12-23-8-10-25(11-9-23)37-32(40)36-24-6-3-2-4-7-24;1-3-37(17-19-44-45(39,40)41)16-7-18-43-26-20-27-29(28(21-26)42-2)30(34-22-33-27)32-15-14-23-10-12-25(13-11-23)36-31(38)35-24-8-5-4-6-9-24;1-3-37(17-18-38)16-7-19-41-26-20-27-29(28(21-26)40-2)30(34-22-33-27)32-15-14-23-10-12-25(13-11-23)36-31(39)35-24-8-5-4-6-9-24;1-34(2)17-20-7-5-6-8-23(20)33-28(35)32-21-11-9-19(10-12-21)13-14-29-27-26-24(30-18-31-27)15-22(36-3)16-25(26)37-4;1-33(2)17-20-6-4-5-7-24(20)32-27(34)31-21-10-8-19(9-11-21)14-15-28-26-23-13-12-22(35-3)16-25(23)29-18-30-26;1-31-19-8-9-20-21(13-19)26-15-27-22(20)25-12-10-16-4-6-17(7-5-16)28-23(30)29-18-3-2-11-24-14-18/h2-4,6-11,20-22,26,39H,5,12-19H2,1H3,(H,33,34,35)(H2,36,37,40);4-6,8-13,20-22H,3,7,14-19H2,1-2H3,(H,32,33,34)(H2,35,36,38)(H2,39,40,41);4-6,8-13,20-22,38H,3,7,14-19H2,1-2H3,(H,32,33,34)(H2,35,36,39);5-12,15-16,18H,13-14,17H2,1-4H3,(H,29,30,31)(H2,32,33,35);4-13,16,18H,14-15,17H2,1-3H3,(H,28,29,30)(H2,31,32,34);2-9,11,13-15H,10,12H2,1H3,(H,25,26,27)(H2,28,29,30)
InChIKeyZMJNTIQXFRJEFZ-UHFFFAOYSA-N
XLogP29.66
TPSA702.25 Ų
H-Bond Donors22
H-Bond Acceptors44
Rotatable Bonds70
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003153.69
LogP ≤ 529.66
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze 1-[4-[2-[(5,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[2-[(dimethylamino)methyl]phenyl]-3-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-5-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;2-[ethyl-[3-[5-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate;1-[4-[2-[[7-[3-(4-hydroxypiperidin-1-yl)propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-pyridin-3-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[3-[6-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinazolin-7-yl]oxypropyl]piperazin-1-yl]ethyl dihydrogen phosphate
CID 59268622
[1-[3-[4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinazolin-7-yl]oxypropyl]piperidin-4-yl]methyl dihydrogen phosphate
CID 59268791
1-[4-[2-[[7-[2-(dimethylamino)ethoxy]quinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea
CID 59268658
1-[2-chloro-4-[[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]amino]phenyl]-3-phenylurea
CID 134152440
1-[4-[2-[[3-cyano-7-[3-(dimethylamino)propoxy]quinolin-4-yl]amino]ethyl]phenyl]-3-[2-[(dimethylamino)methyl]phenyl]urea
CID 59268705
1-[5-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]pyrimidin-2-yl]-3-phenylurea
CID 59268828
1-(3,3-dimethylbutyl)-3-[4-[6-[3-(4-hydroxypiperidin-1-yl)propoxy]-7-methoxyquinolin-4-yl]oxyphenyl]urea
CID 23022632
7-[7-methoxy-4-[2-(4-methoxyphenyl)ethylamino]quinazolin-6-yl]oxyheptanoic acid
CID 68728406
7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-pyridin-3-ylquinazolin-4-amine
CID 151014604
1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]ethyl]phenyl]-3-phenylurea
CID 59268644
N-(2,3-difluorophenyl)-2-[3-[[7-[3-(4-hydroxypiperidin-1-yl)propoxy]-6-methoxyquinazolin-4-yl]amino]-1H-pyrazol-5-yl]acetamide
CID 10289802
2-[5-[4-[[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]amino]-6-methoxyquinazolin-7-yl]oxypentyl-ethylamino]ethyl dihydrogen phosphate
CID 10439321

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(5,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[2-[(dimethylamino)methyl]phenyl]-3-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-5-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;2-[ethyl-[3-[5-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate;1-[4-[2-[[7-[3-(4-hydroxypiperidin-1-yl)propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[4-[2-[(5,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[2-[(dimethylamino)methyl]phenyl]-3-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-5-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;2-[ethyl-[3-[5-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate;1-[4-[2-[[7-[3-(4-hydroxypiperidin-1-yl)propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-pyridin-3-ylurea (CID 162160275) is 1-[4-[2-[(5,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[2-[(dimethylamino)methyl]phenyl]-3-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-5-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;2-[ethyl-[3-[5-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate;1-[4-[2-[[7-[3-(4-hydroxypiperidin-1-yl)propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[4-[2-[(5,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[2-[(dimethylamino)methyl]phenyl]-3-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-5-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;2-[ethyl-[3-[5-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate;1-[4-[2-[[7-[3-(4-hydroxypiperidin-1-yl)propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[4-[2-[(5,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[2-[(dimethylamino)methyl]phenyl]-3-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-5-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;2-[ethyl-[3-[5-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate;1-[4-[2-[[7-[3-(4-hydroxypiperidin-1-yl)propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-pyridin-3-ylurea is CCN(CCCOc1cc(OC)c2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2c1)CCOP(=O)(O)O.CCN(CCO)CCCOc1cc(OC)c2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2c1.COc1cc(OC)c2c(NCCc3ccc(NC(=O)Nc4ccccc4CN(C)C)cc3)ncnc2c1.COc1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2cc1OCCCN1CCC(O)CC1.COc1ccc2c(NCCc3ccc(NC(=O)Nc4ccccc4CN(C)C)cc3)ncnc2c1.COc1ccc2c(NCCc3ccc(NC(=O)Nc4cccnc4)cc3)ncnc2c1.
What is the InChIKey of 1-[4-[2-[(5,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[2-[(dimethylamino)methyl]phenyl]-3-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-5-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;2-[ethyl-[3-[5-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate;1-[4-[2-[[7-[3-(4-hydroxypiperidin-1-yl)propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-pyridin-3-ylurea?
The InChIKey is ZMJNTIQXFRJEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6O4.C31H39N6O7P.C31H38N6O4.C28H32N6O3.C27H30N6O2.C23H22N6O2/c1-41-29-20-27-28(21-30(29)42-19-5-16-38-17-13-26(39)14-18-38)34-22-35-31(27)33-15-12-23-8-10-25(11-9-23)37-32(40)36-24-6-3-2-4-7-24;1-3-37(17-19-44-45(39,40)41)16-7-18-43-26-20-27-29(28(21-26)42-2)30(34-22-33-27)32-15-14-23-10-12-25(13-11-23)36-31(38)35-24-8-5-4-6-9-24;1-3-37(17-18-38)16-7-19-41-26-20-27-29(28(21-26)40-2)30(34-22-33-27)32-15-14-23-10-12-25(13-11-23)36-31(39)35-24-8-5-4-6-9-24;1-34(2)17-20-7-5-6-8-23(20)33-28(35)32-21-11-9-19(10-12-21)13-14-29-27-26-24(30-18-31-27)15-22(36-3)16-25(26)37-4;1-33(2)17-20-6-4-5-7-24(20)32-27(34)31-21-10-8-19(9-11-21)14-15-28-26-23-13-12-22(35-3)16-25(23)29-18-30-26;1-31-19-8-9-20-21(13-19)26-15-27-22(20)25-12-10-16-4-6-17(7-5-16)28-23(30)29-18-3-2-11-24-14-18/h2-4,6-11,20-22,26,39H,5,12-19H2,1H3,(H,33,34,35)(H2,36,37,40);4-6,8-13,20-22H,3,7,14-19H2,1-2H3,(H,32,33,34)(H2,35,36,38)(H2,39,40,41);4-6,8-13,20-22,38H,3,7,14-19H2,1-2H3,(H,32,33,34)(H2,35,36,39);5-12,15-16,18H,13-14,17H2,1-4H3,(H,29,30,31)(H2,32,33,35);4-13,16,18H,14-15,17H2,1-3H3,(H,28,29,30)(H2,31,32,34);2-9,11,13-15H,10,12H2,1H3,(H,25,26,27)(H2,28,29,30).
What are the key properties of 1-[4-[2-[(5,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[2-[(dimethylamino)methyl]phenyl]-3-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-5-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;2-[ethyl-[3-[5-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate;1-[4-[2-[[7-[3-(4-hydroxypiperidin-1-yl)propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-pyridin-3-ylurea?
1-[4-[2-[(5,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[2-[(dimethylamino)methyl]phenyl]-3-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-5-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;2-[ethyl-[3-[5-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate;1-[4-[2-[[7-[3-(4-hydroxypiperidin-1-yl)propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-pyridin-3-ylurea has a molecular weight of 3153.69 g/mol, XLogP of 29.66, 70 rotatable bonds, 22 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(5,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-[2-[(dimethylamino)methyl]phenyl]urea;1-[2-[(dimethylamino)methyl]phenyl]-3-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-5-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;2-[ethyl-[3-[5-methoxy-4-[2-[4-(phenylcarbamoylamino)phenyl]ethylamino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate;1-[4-[2-[[7-[3-(4-hydroxypiperidin-1-yl)propoxy]-6-methoxyquinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[(7-methoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 162160275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).