N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine

C126H116Cl3N25O10S — CID 158157199

About N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine

N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine (PubChem CID 158157199) has the molecular formula C126H116Cl3N25O10S and a molecular weight of 2278.90 g/mol. Its IUPAC name is N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine.

Molecular Properties

• Compound Name: N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine
• PubChem CID: 158157199
• Molecular Formula: C126H116Cl3N25O10S
• Molecular Weight: 2278.90 g/mol
• Exact Mass: 2275.81
• IUPAC Name: N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine
• SMILES: C[C@@H]1CN=C(Cc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)O1.C[C@H]1CN=C(Cc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)O1.C[C@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1.Cc1cc(Nc2ncnc3ccc(CC4=NC(C)(C)CO4)cc23)ccc1Oc1cccnc1.Cc1cncc(Oc2ccc(Nc3ncnc4ccc(CC5=NC(C)(C)CO5)cc34)cc2C)c1
• InChI: InChI=1S/C27H27N5O2.C26H25N5O2.2C25H22ClN5O2.C23H20ClN5O2S/c1-17-9-21(14-28-13-17)34-24-8-6-20(10-18(24)2)31-26-22-11-19(5-7-23(22)29-16-30-26)12-25-32-27(3,4)15-33-25;1-17-11-19(7-9-23(17)33-20-5-4-10-27-14-20)30-25-21-12-18(6-8-22(21)28-16-29-25)13-24-31-26(2,3)15-32-24;2*1-16-13-28-24(33-16)11-17-5-7-22-20(10-17)25(30-15-29-22)31-18-6-8-23(21(26)12-18)32-14-19-4-2-3-9-27-19;1-14-11-31-21(28-14)9-15-2-4-19-17(8-15)23(27-13-26-19)29-16-3-5-20(18(24)10-16)30-12-22-25-6-7-32-22/h5-11,13-14,16H,12,15H2,1-4H3,(H,29,30,31);4-12,14,16H,13,15H2,1-3H3,(H,28,29,30);2*2-10,12,15-16H,11,13-14H2,1H3,(H,29,30,31);2-8,10,13-14H,9,11-12H2,1H3,(H,26,27,29)/t;;2*16-;14-/m..100/s1
• InChIKey: FVVJHUOJAOJUJA-CECAYPKRSA-N
• XLogP: 27.69
• TPSA: 407.60 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 33
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2278.90
LogP ≤ 5	27.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine?

The IUPAC name of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine (CID 158157199) is N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine.

What is the SMILES notation for N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine?

The canonical SMILES for N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine is C[C@@H]1CN=C(Cc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)O1.C[C@H]1CN=C(Cc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)O1.C[C@H]1COC(Cc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1.Cc1cc(Nc2ncnc3ccc(CC4=NC(C)(C)CO4)cc23)ccc1Oc1cccnc1.Cc1cncc(Oc2ccc(Nc3ncnc4ccc(CC5=NC(C)(C)CO5)cc34)cc2C)c1.

What is the InChIKey of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine?

The InChIKey is FVVJHUOJAOJUJA-CECAYPKRSA-N. The full InChI is InChI=1S/C27H27N5O2.C26H25N5O2.2C25H22ClN5O2.C23H20ClN5O2S/c1-17-9-21(14-28-13-17)34-24-8-6-20(10-18(24)2)31-26-22-11-19(5-7-23(22)29-16-30-26)12-25-32-27(3,4)15-33-25;1-17-11-19(7-9-23(17)33-20-5-4-10-27-14-20)30-25-21-12-18(6-8-22(21)28-16-29-25)13-24-31-26(2,3)15-32-24;2*1-16-13-28-24(33-16)11-17-5-7-22-20(10-17)25(30-15-29-22)31-18-6-8-23(21(26)12-18)32-14-19-4-2-3-9-27-19;1-14-11-31-21(28-14)9-15-2-4-19-17(8-15)23(27-13-26-19)29-16-3-5-20(18(24)10-16)30-12-22-25-6-7-32-22/h5-11,13-14,16H,12,15H2,1-4H3,(H,29,30,31);4-12,14,16H,13,15H2,1-3H3,(H,28,29,30);2*2-10,12,15-16H,11,13-14H2,1H3,(H,29,30,31);2-8,10,13-14H,9,11-12H2,1H3,(H,26,27,29)/t;;2*16-;14-/m..100/s1.

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

N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine has a molecular weight of 2278.90 g/mol, XLogP of 27.69, 33 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-[[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(5-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 158157199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).