N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;6-[[(4R,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

C127H117Cl4N25O11S — CID 159645699

About N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;6-[[(4R,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

N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;6-[[(4R,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 159645699) has the molecular formula C127H117Cl4N25O11S and a molecular weight of 2343.38 g/mol. Its IUPAC name is N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;6-[[(4R,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: N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;6-[[(4R,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: 159645699
• Molecular Formula: C127H117Cl4N25O11S
• Molecular Weight: 2343.38 g/mol
• Exact Mass: 2339.78
• IUPAC Name: N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;6-[[(4R,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]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)=N1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=N[C@H](C)[C@H](C)O5)cc34)cc2C)cn1.Cc1cncc(COc2ccc(Nc3ncnc4ccc(CC5=NC(C)CO5)cc34)cc2Cl)c1.Cc1cncc(COc2ccc(Nc3ncnc4ccc(CC5=NCC(C)O5)cc34)cc2Cl)c1.OCC1COC(Cc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1
• InChI: InChI=1S/C27H27N5O2.2C26H24ClN5O2.C25H22ClN5O2.C23H20ClN5O3S/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;1-16-7-19(12-28-11-16)14-33-24-6-4-20(10-22(24)27)32-26-21-8-18(3-5-23(21)29-15-30-26)9-25-31-17(2)13-34-25;1-16-7-19(13-28-11-16)14-33-24-6-4-20(10-22(24)27)32-26-21-8-18(3-5-23(21)30-15-31-26)9-25-29-12-17(2)34-25;1-16-13-33-24(30-16)11-17-5-7-22-20(10-17)25(29-15-28-22)31-18-6-8-23(21(26)12-18)32-14-19-4-2-3-9-27-19;24-18-9-15(2-4-20(18)31-12-22-25-5-6-33-22)29-23-17-7-14(1-3-19(17)26-13-27-23)8-21-28-16(10-30)11-32-21/h5-12,14-15,18-19H,13H2,1-4H3,(H,29,30,32);3-8,10-12,15,17H,9,13-14H2,1-2H3,(H,29,30,32);3-8,10-11,13,15,17H,9,12,14H2,1-2H3,(H,30,31,32);2-10,12,15-16H,11,13-14H2,1H3,(H,28,29,31);1-7,9,13,16,30H,8,10-12H2,(H,26,27,29)/t18-,19+;;;16-;/m1..1./s1
• InChIKey: MQXSHVKRGOBMFE-JBKKHMCJSA-N
• XLogP: 27.02
• TPSA: 427.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 35
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2343.38
LogP ≤ 5	27.02
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;6-[[(4R,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 N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;6-[[(4R,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 159645699) is N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;6-[[(4R,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 N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;6-[[(4R,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 N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;6-[[(4R,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]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)=N1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=N[C@H](C)[C@H](C)O5)cc34)cc2C)cn1.Cc1cncc(COc2ccc(Nc3ncnc4ccc(CC5=NC(C)CO5)cc34)cc2Cl)c1.Cc1cncc(COc2ccc(Nc3ncnc4ccc(CC5=NCC(C)O5)cc34)cc2Cl)c1.OCC1COC(Cc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1.

What is the InChIKey of N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;6-[[(4R,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 MQXSHVKRGOBMFE-JBKKHMCJSA-N. The full InChI is InChI=1S/C27H27N5O2.2C26H24ClN5O2.C25H22ClN5O2.C23H20ClN5O3S/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;1-16-7-19(12-28-11-16)14-33-24-6-4-20(10-22(24)27)32-26-21-8-18(3-5-23(21)29-15-30-26)9-25-31-17(2)13-34-25;1-16-7-19(13-28-11-16)14-33-24-6-4-20(10-22(24)27)32-26-21-8-18(3-5-23(21)30-15-31-26)9-25-29-12-17(2)34-25;1-16-13-33-24(30-16)11-17-5-7-22-20(10-17)25(29-15-28-22)31-18-6-8-23(21(26)12-18)32-14-19-4-2-3-9-27-19;24-18-9-15(2-4-20(18)31-12-22-25-5-6-33-22)29-23-17-7-14(1-3-19(17)26-13-27-23)8-21-28-16(10-30)11-32-21/h5-12,14-15,18-19H,13H2,1-4H3,(H,29,30,32);3-8,10-12,15,17H,9,13-14H2,1-2H3,(H,29,30,32);3-8,10-11,13,15,17H,9,12,14H2,1-2H3,(H,30,31,32);2-10,12,15-16H,11,13-14H2,1H3,(H,28,29,31);1-7,9,13,16,30H,8,10-12H2,(H,26,27,29)/t18-,19+;;;16-;/m1..1./s1.

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

N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;6-[[(4R,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 2343.38 g/mol, XLogP of 27.02, 35 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]-6-[(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]methanol;6-[[(4R,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 159645699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).