N-[3-chloro-4-(2,3-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(2-fluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]-3-methylphenyl]quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[3-methyl-4-[(2-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine

C99H83Cl2F3N18O8 — CID 160872173

About N-[3-chloro-4-(2,3-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(2-fluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]-3-methylphenyl]quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[3-methyl-4-[(2-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine

N-[3-chloro-4-(2,3-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(2-fluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]-3-methylphenyl]quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[3-methyl-4-[(2-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine (PubChem CID 160872173) has the molecular formula C99H83Cl2F3N18O8 and a molecular weight of 1780.77 g/mol. Its IUPAC name is N-[3-chloro-4-(2,3-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(2-fluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]-3-methylphenyl]quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[3-methyl-4-[(2-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine.

Molecular Properties

• Compound Name: N-[3-chloro-4-(2,3-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(2-fluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]-3-methylphenyl]quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[3-methyl-4-[(2-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
• PubChem CID: 160872173
• Molecular Formula: C99H83Cl2F3N18O8
• Molecular Weight: 1780.77 g/mol
• Exact Mass: 1778.60
• IUPAC Name: N-[3-chloro-4-(2,3-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(2-fluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]-3-methylphenyl]quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[3-methyl-4-[(2-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
• SMILES: Cc1cc(Nc2ncnc3ccc(CC4=NCCO4)cc23)ccc1Oc1cccnc1C.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=NCCO5)cc34)cc2C)c(C)n1.Fc1cccc(Oc2ccc(Nc3ncnc4ccc(CC5=NCCO5)cc34)cc2Cl)c1F.Fc1ccccc1Oc1ccc(Nc2ncnc3ccc(CC4=NCCO4)cc23)cc1Cl
• InChI: InChI=1S/C26H25N5O2.C25H23N5O2.C24H17ClF2N4O2.C24H18ClFN4O2/c1-16-12-20(6-9-23(16)33-24-8-4-17(2)30-18(24)3)31-26-21-13-19(14-25-27-10-11-32-25)5-7-22(21)28-15-29-26;1-16-12-19(6-8-22(16)32-23-4-3-9-26-17(23)2)30-25-20-13-18(14-24-27-10-11-31-24)5-7-21(20)28-15-29-25;25-17-12-15(5-7-20(17)33-21-3-1-2-18(26)23(21)27)31-24-16-10-14(11-22-28-8-9-32-22)4-6-19(16)29-13-30-24;25-18-13-16(6-8-21(18)32-22-4-2-1-3-19(22)26)30-24-17-11-15(12-23-27-9-10-31-23)5-7-20(17)28-14-29-24/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,28,29,31);3-9,12-13,15H,10-11,14H2,1-2H3,(H,28,29,30);1-7,10,12-13H,8-9,11H2,(H,29,30,31);1-8,11,13-14H,9-10,12H2,(H,28,29,30)
• InChIKey: SLWZAMKTPKSWGM-UHFFFAOYSA-N
• XLogP: 22.60
• TPSA: 300.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1780.77
LogP ≤ 5	22.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2,3-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(2-fluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]-3-methylphenyl]quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[3-methyl-4-[(2-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?

The IUPAC name of N-[3-chloro-4-(2,3-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(2-fluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]-3-methylphenyl]quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[3-methyl-4-[(2-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine (CID 160872173) is N-[3-chloro-4-(2,3-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(2-fluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]-3-methylphenyl]quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[3-methyl-4-[(2-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine.

What is the SMILES notation for N-[3-chloro-4-(2,3-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(2-fluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]-3-methylphenyl]quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[3-methyl-4-[(2-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?

The canonical SMILES for N-[3-chloro-4-(2,3-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(2-fluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]-3-methylphenyl]quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[3-methyl-4-[(2-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine is Cc1cc(Nc2ncnc3ccc(CC4=NCCO4)cc23)ccc1Oc1cccnc1C.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=NCCO5)cc34)cc2C)c(C)n1.Fc1cccc(Oc2ccc(Nc3ncnc4ccc(CC5=NCCO5)cc34)cc2Cl)c1F.Fc1ccccc1Oc1ccc(Nc2ncnc3ccc(CC4=NCCO4)cc23)cc1Cl.

What is the InChIKey of N-[3-chloro-4-(2,3-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(2-fluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]-3-methylphenyl]quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[3-methyl-4-[(2-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?

The InChIKey is SLWZAMKTPKSWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2.C25H23N5O2.C24H17ClF2N4O2.C24H18ClFN4O2/c1-16-12-20(6-9-23(16)33-24-8-4-17(2)30-18(24)3)31-26-21-13-19(14-25-27-10-11-32-25)5-7-22(21)28-15-29-26;1-16-12-19(6-8-22(16)32-23-4-3-9-26-17(23)2)30-25-20-13-18(14-24-27-10-11-31-24)5-7-21(20)28-15-29-25;25-17-12-15(5-7-20(17)33-21-3-1-2-18(26)23(21)27)31-24-16-10-14(11-22-28-8-9-32-22)4-6-19(16)29-13-30-24;25-18-13-16(6-8-21(18)32-22-4-2-1-3-19(22)26)30-24-17-11-15(12-23-27-9-10-31-23)5-7-20(17)28-14-29-24/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,28,29,31);3-9,12-13,15H,10-11,14H2,1-2H3,(H,28,29,30);1-7,10,12-13H,8-9,11H2,(H,29,30,31);1-8,11,13-14H,9-10,12H2,(H,28,29,30).

What are the key properties of N-[3-chloro-4-(2,3-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(2-fluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]-3-methylphenyl]quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[3-methyl-4-[(2-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?

N-[3-chloro-4-(2,3-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(2-fluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]-3-methylphenyl]quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[3-methyl-4-[(2-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine has a molecular weight of 1780.77 g/mol, XLogP of 22.60, 24 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-4-(2,3-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(2-fluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[4-[(2,6-dimethyl-3-pyridinyl)oxy]-3-methylphenyl]quinazolin-4-amine;6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[3-methyl-4-[(2-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine is sourced from PubChem (CID 160872173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).