(1R)-1-[2-[[4-[3-chloro-4-(2,6-difluorophenoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-5H-1,3-oxazol-4-yl]methanol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine

C155H141Cl4F5N32O17S2 — CID 159718874

IUPAC(1R)-1-[2-[[4-[3-chloro-4-(2,6-difluorophenoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-5H-1,3-oxazol-4-yl]methanol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine
SMILESCSCC[C@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.C[C@@H](O)C1COC(Nc2ccc3ncnc(Nc4ccc(Oc5c(F)cccc5F)c(Cl)c4)c3c2)=N1.C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.C[C@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NC(CCS(C)(=O)=O)CO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NC(CO)(CO)CO5)cc34)cc2C)cn1
InChIInChI=1S/C27H25ClFN5O2S.C27H28N6O4S.C26H26N6O4.C25H20ClF2N5O3.2C25H21ClFN5O2/c1-37-10-9-21-15-36-27(34-21)33-19-5-7-24-22(12-19)26(31-16-30-24)32-20-6-8-25(23(28)13-20)35-14-17-3-2-4-18(29)11-17;1-17-12-19(6-9-25(17)37-22-7-4-18(2)28-14-22)31-26-23-13-20(5-8-24(23)29-16-30-26)32-27-33-21(15-36-27)10-11-38(3,34)35;1-16-9-18(5-8-23(16)36-20-6-3-17(2)27-11-20)30-24-21-10-19(4-7-22(21)28-15-29-24)31-25-32-26(12-33,13-34)14-35-25;1-13(34)21-11-35-25(33-21)32-14-5-7-20-16(9-14)24(30-12-29-20)31-15-6-8-22(17(26)10-15)36-23-18(27)3-2-4-19(23)28;2*1-15-12-34-25(30-15)32-18-5-7-22-20(10-18)24(29-14-28-22)31-19-6-8-23(21(26)11-19)33-13-16-3-2-4-17(27)9-16/h2-8,11-13,16,21H,9-10,14-15H2,1H3,(H,33,34)(H,30,31,32);4-9,12-14,16,21H,10-11,15H2,1-3H3,(H,32,33)(H,29,30,31);3-11,15,33-34H,12-14H2,1-2H3,(H,31,32)(H,28,29,30);2-10,12-13,21,34H,11H2,1H3,(H,32,33)(H,29,30,31);2*2-11,14-15H,12-13H2,1H3,(H,30,32)(H,28,29,31)/t21-;;;13-,21?;2*15-/m0..110/s1
InChIKeyMZTWCYXNMIRPNK-JIUHAPCVSA-N
MW3024.98 g/mol
LogP32.65
Rot. Bonds42

About (1R)-1-[2-[[4-[3-chloro-4-(2,6-difluorophenoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-5H-1,3-oxazol-4-yl]methanol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine

(1R)-1-[2-[[4-[3-chloro-4-(2,6-difluorophenoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-5H-1,3-oxazol-4-yl]methanol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine (PubChem CID 159718874) has the molecular formula C155H141Cl4F5N32O17S2 and a molecular weight of 3024.98 g/mol. Its IUPAC name is (1R)-1-[2-[[4-[3-chloro-4-(2,6-difluorophenoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-5H-1,3-oxazol-4-yl]methanol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name(1R)-1-[2-[[4-[3-chloro-4-(2,6-difluorophenoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-5H-1,3-oxazol-4-yl]methanol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine
PubChem CID159718874
Molecular FormulaC155H141Cl4F5N32O17S2
Molecular Weight3024.98 g/mol
Exact Mass3020.93
IUPAC Name(1R)-1-[2-[[4-[3-chloro-4-(2,6-difluorophenoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-5H-1,3-oxazol-4-yl]methanol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine
SMILESCSCC[C@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.C[C@@H](O)C1COC(Nc2ccc3ncnc(Nc4ccc(Oc5c(F)cccc5F)c(Cl)c4)c3c2)=N1.C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.C[C@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NC(CCS(C)(=O)=O)CO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NC(CO)(CO)CO5)cc34)cc2C)cn1
InChIInChI=1S/C27H25ClFN5O2S.C27H28N6O4S.C26H26N6O4.C25H20ClF2N5O3.2C25H21ClFN5O2/c1-37-10-9-21-15-36-27(34-21)33-19-5-7-24-22(12-19)26(31-16-30-24)32-20-6-8-25(23(28)13-20)35-14-17-3-2-4-18(29)11-17;1-17-12-19(6-9-25(17)37-22-7-4-18(2)28-14-22)31-26-23-13-20(5-8-24(23)29-16-30-26)32-27-33-21(15-36-27)10-11-38(3,34)35;1-16-9-18(5-8-23(16)36-20-6-3-17(2)27-11-20)30-24-21-10-19(4-7-22(21)28-15-29-24)31-25-32-26(12-33,13-34)14-35-25;1-13(34)21-11-35-25(33-21)32-14-5-7-20-16(9-14)24(30-12-29-20)31-15-6-8-22(17(26)10-15)36-23-18(27)3-2-4-19(23)28;2*1-15-12-34-25(30-15)32-18-5-7-22-20(10-18)24(29-14-28-22)31-19-6-8-23(21(26)11-19)33-13-16-3-2-4-17(27)9-16/h2-8,11-13,16,21H,9-10,14-15H2,1H3,(H,33,34)(H,30,31,32);4-9,12-14,16,21H,10-11,15H2,1-3H3,(H,32,33)(H,29,30,31);3-11,15,33-34H,12-14H2,1-2H3,(H,31,32)(H,28,29,30);2-10,12-13,21,34H,11H2,1H3,(H,32,33)(H,29,30,31);2*2-11,14-15H,12-13H2,1H3,(H,30,32)(H,28,29,31)/t21-;;;13-,21?;2*15-/m0..110/s1
InChIKeyMZTWCYXNMIRPNK-JIUHAPCVSA-N
XLogP32.65
TPSA604.57 Ų
H-Bond Donors15
H-Bond Acceptors50
Rotatable Bonds42
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003024.98
LogP ≤ 532.65
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1050

Analyze (1R)-1-[2-[[4-[3-chloro-4-(2,6-difluorophenoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-5H-1,3-oxazol-4-yl]methanol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[[4-[3-chloro-4-(2,6-difluorophenoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-5H-1,3-oxazol-4-yl]methanol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine?
The IUPAC name of (1R)-1-[2-[[4-[3-chloro-4-(2,6-difluorophenoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-5H-1,3-oxazol-4-yl]methanol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine (CID 159718874) is (1R)-1-[2-[[4-[3-chloro-4-(2,6-difluorophenoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-5H-1,3-oxazol-4-yl]methanol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine.
What is the SMILES notation for (1R)-1-[2-[[4-[3-chloro-4-(2,6-difluorophenoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-5H-1,3-oxazol-4-yl]methanol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine?
The canonical SMILES for (1R)-1-[2-[[4-[3-chloro-4-(2,6-difluorophenoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-5H-1,3-oxazol-4-yl]methanol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine is CSCC[C@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.C[C@@H](O)C1COC(Nc2ccc3ncnc(Nc4ccc(Oc5c(F)cccc5F)c(Cl)c4)c3c2)=N1.C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.C[C@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NC(CCS(C)(=O)=O)CO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NC(CO)(CO)CO5)cc34)cc2C)cn1.
What is the InChIKey of (1R)-1-[2-[[4-[3-chloro-4-(2,6-difluorophenoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-5H-1,3-oxazol-4-yl]methanol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine?
The InChIKey is MZTWCYXNMIRPNK-JIUHAPCVSA-N. The full InChI is InChI=1S/C27H25ClFN5O2S.C27H28N6O4S.C26H26N6O4.C25H20ClF2N5O3.2C25H21ClFN5O2/c1-37-10-9-21-15-36-27(34-21)33-19-5-7-24-22(12-19)26(31-16-30-24)32-20-6-8-25(23(28)13-20)35-14-17-3-2-4-18(29)11-17;1-17-12-19(6-9-25(17)37-22-7-4-18(2)28-14-22)31-26-23-13-20(5-8-24(23)29-16-30-26)32-27-33-21(15-36-27)10-11-38(3,34)35;1-16-9-18(5-8-23(16)36-20-6-3-17(2)27-11-20)30-24-21-10-19(4-7-22(21)28-15-29-24)31-25-32-26(12-33,13-34)14-35-25;1-13(34)21-11-35-25(33-21)32-14-5-7-20-16(9-14)24(30-12-29-20)31-15-6-8-22(17(26)10-15)36-23-18(27)3-2-4-19(23)28;2*1-15-12-34-25(30-15)32-18-5-7-22-20(10-18)24(29-14-28-22)31-19-6-8-23(21(26)11-19)33-13-16-3-2-4-17(27)9-16/h2-8,11-13,16,21H,9-10,14-15H2,1H3,(H,33,34)(H,30,31,32);4-9,12-14,16,21H,10-11,15H2,1-3H3,(H,32,33)(H,29,30,31);3-11,15,33-34H,12-14H2,1-2H3,(H,31,32)(H,28,29,30);2-10,12-13,21,34H,11H2,1H3,(H,32,33)(H,29,30,31);2*2-11,14-15H,12-13H2,1H3,(H,30,32)(H,28,29,31)/t21-;;;13-,21?;2*15-/m0..110/s1.
What are the key properties of (1R)-1-[2-[[4-[3-chloro-4-(2,6-difluorophenoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-5H-1,3-oxazol-4-yl]methanol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine?
(1R)-1-[2-[[4-[3-chloro-4-(2,6-difluorophenoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-5H-1,3-oxazol-4-yl]methanol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine has a molecular weight of 3024.98 g/mol, XLogP of 32.65, 42 rotatable bonds, 15 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[[4-[3-chloro-4-(2,6-difluorophenoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-[(4S)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;[4-(hydroxymethyl)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-5H-1,3-oxazol-4-yl]methanol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[4-(2-methylsulfonylethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine is sourced from PubChem (CID 159718874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).