[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;2-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine

C129H118Cl4F2N23O16PS — CID 159170297

About [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;2-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine

[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;2-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine (PubChem CID 159170297) has the molecular formula C129H118Cl4F2N23O16PS and a molecular weight of 2489.36 g/mol. Its IUPAC name is [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;2-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine.

Molecular Properties

• Compound Name: [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;2-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
• PubChem CID: 159170297
• Molecular Formula: C129H118Cl4F2N23O16PS
• Molecular Weight: 2489.36 g/mol
• Exact Mass: 2485.73
• IUPAC Name: [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;2-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
• SMILES: C[C@@H]1N=C(Cc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)O[C@H]1C.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=N[C@@H](C)[C@H](C)O5)cc34)cc2C)cn1.O=P(O)(O)OCC1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.OCC1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.OCCC1COC(Cc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1
• InChI: InChI=1S/C27H27N5O2.C26H23ClFN4O6P.C26H22ClFN4O3.C26H24ClN5O2.C24H22ClN5O3S/c1-16-11-21(7-10-25(16)34-22-8-5-17(2)28-14-22)32-27-23-12-20(6-9-24(23)29-15-30-27)13-26-31-18(3)19(4)33-26;27-22-11-19(5-7-24(22)36-12-17-2-1-3-18(28)8-17)32-26-21-9-16(4-6-23(21)29-15-30-26)10-25-31-20(13-37-25)14-38-39(33,34)35;27-22-11-19(5-7-24(22)34-13-17-2-1-3-18(28)8-17)32-26-21-9-16(4-6-23(21)29-15-30-26)10-25-31-20(12-33)14-35-25;1-16-17(2)34-25(31-16)12-18-6-8-23-21(11-18)26(30-15-29-23)32-19-7-9-24(22(27)13-19)33-14-20-5-3-4-10-28-20;25-19-11-16(2-4-21(19)32-13-23-26-6-8-34-23)30-24-18-9-15(1-3-20(18)27-14-28-24)10-22-29-17(5-7-31)12-33-22/h5-12,14-15,18-19H,13H2,1-4H3,(H,29,30,32);1-9,11,15,20H,10,12-14H2,(H,29,30,32)(H2,33,34,35);1-9,11,15,20,33H,10,12-14H2,(H,29,30,32);3-11,13,15-17H,12,14H2,1-2H3,(H,29,30,32);1-4,6,8-9,11,14,17,31H,5,7,10,12-13H2,(H,27,28,30)/t18-,19-;;;16-,17-;/m0..0./s1
• InChIKey: KLPHFORUHNHRLN-FDMKDVFJSA-N
• XLogP: 26.73
• TPSA: 489.04 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 38
• Rotatable Bonds: 40
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2489.36
LogP ≤ 5	26.73
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;2-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?

The IUPAC name of [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;2-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine (CID 159170297) is [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;2-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine.

What is the SMILES notation for [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;2-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?

The canonical SMILES for [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;2-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine is C[C@@H]1N=C(Cc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)O[C@H]1C.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=N[C@@H](C)[C@H](C)O5)cc34)cc2C)cn1.O=P(O)(O)OCC1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.OCC1COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.OCCC1COC(Cc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1.

What is the InChIKey of [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;2-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?

The InChIKey is KLPHFORUHNHRLN-FDMKDVFJSA-N. The full InChI is InChI=1S/C27H27N5O2.C26H23ClFN4O6P.C26H22ClFN4O3.C26H24ClN5O2.C24H22ClN5O3S/c1-16-11-21(7-10-25(16)34-22-8-5-17(2)28-14-22)32-27-23-12-20(6-9-24(23)29-15-30-27)13-26-31-18(3)19(4)33-26;27-22-11-19(5-7-24(22)36-12-17-2-1-3-18(28)8-17)32-26-21-9-16(4-6-23(21)29-15-30-26)10-25-31-20(13-37-25)14-38-39(33,34)35;27-22-11-19(5-7-24(22)34-13-17-2-1-3-18(28)8-17)32-26-21-9-16(4-6-23(21)29-15-30-26)10-25-31-20(12-33)14-35-25;1-16-17(2)34-25(31-16)12-18-6-8-23-21(11-18)26(30-15-29-23)32-19-7-9-24(22(27)13-19)33-14-20-5-3-4-10-28-20;25-19-11-16(2-4-21(19)32-13-23-26-6-8-34-23)30-24-18-9-15(1-3-20(18)27-14-28-24)10-22-29-17(5-7-31)12-33-22/h5-12,14-15,18-19H,13H2,1-4H3,(H,29,30,32);1-9,11,15,20H,10,12-14H2,(H,29,30,32)(H2,33,34,35);1-9,11,15,20,33H,10,12-14H2,(H,29,30,32);3-11,13,15-17H,12,14H2,1-2H3,(H,29,30,32);1-4,6,8-9,11,14,17,31H,5,7,10,12-13H2,(H,27,28,30)/t18-,19-;;;16-,17-;/m0..0./s1.

What are the key properties of [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;2-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?

[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;2-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine has a molecular weight of 2489.36 g/mol, XLogP of 26.73, 40 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methyl dihydrogen phosphate;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;2-[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;6-[[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine is sourced from PubChem (CID 159170297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).