2-[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;2-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;1-[(4R)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethane-1,2-diol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine

C151H140Cl4F2N34O21S2 — CID 157353084

IUPAC2-[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;2-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;1-[(4R)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethane-1,2-diol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine
SMILESCc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=N[C@@H](C(O)CO)CO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=N[C@H](CS(C)(=O)=O)CO5)cc34)cc2C)cn1.OCC1(CO)COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1.OCC1COC(Nc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.OCCC1COC(Nc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.OCCC1COC(Nc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)=N1
InChIInChI=1S/C26H23ClFN5O3.C26H26N6O4S.C26H26N6O4.C25H21ClFN5O3.C25H23ClN6O3.C23H21ClN6O4S/c27-22-12-19(5-7-24(22)35-13-16-2-1-3-17(28)10-16)31-25-21-11-18(4-6-23(21)29-15-30-25)32-26-33-20(8-9-34)14-36-26;1-16-10-18(6-9-24(16)36-21-7-4-17(2)27-12-21)30-25-22-11-19(5-8-23(22)28-15-29-25)31-26-32-20(13-35-26)14-37(3,33)34;1-15-9-17(5-8-24(15)36-19-6-3-16(2)27-11-19)30-25-20-10-18(4-7-21(20)28-14-29-25)31-26-32-22(13-35-26)23(34)12-33;26-21-10-18(5-7-23(21)34-12-15-2-1-3-16(27)8-15)30-24-20-9-17(4-6-22(20)28-14-29-24)31-25-32-19(11-33)13-35-25;26-21-12-17(5-7-23(21)34-13-18-3-1-2-9-27-18)30-24-20-11-16(4-6-22(20)28-15-29-24)31-25-32-19(8-10-33)14-35-25;24-17-8-15(2-4-19(17)33-9-20-25-5-6-35-20)28-21-16-7-14(1-3-18(16)26-13-27-21)29-22-30-23(10-31,11-32)12-34-22/h1-7,10-12,15,20,34H,8-9,13-14H2,(H,32,33)(H,29,30,31);4-12,15,20H,13-14H2,1-3H3,(H,31,32)(H,28,29,30);3-11,14,22-23,33-34H,12-13H2,1-2H3,(H,31,32)(H,28,29,30);1-10,14,19,33H,11-13H2,(H,31,32)(H,28,29,30);1-7,9,11-12,15,19,33H,8,10,13-14H2,(H,31,32)(H,28,29,30);1-8,13,31-32H,9-12H2,(H,29,30)(H,26,27,28)/t;20-;22-,23?;;;/m.01.../s1
InChIKeyBHTLNWJDFFJYCK-JGUIVVIMSA-N
MW3010.94 g/mol
LogP26.42
Rot. Bonds45

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

2-[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;2-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;1-[(4R)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethane-1,2-diol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine (PubChem CID 157353084) has the molecular formula C151H140Cl4F2N34O21S2 and a molecular weight of 3010.94 g/mol. Its IUPAC name is 2-[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;2-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;1-[(4R)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethane-1,2-diol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name2-[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;2-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;1-[(4R)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethane-1,2-diol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine
PubChem CID157353084
Molecular FormulaC151H140Cl4F2N34O21S2
Molecular Weight3010.94 g/mol
Exact Mass3006.91
IUPAC Name2-[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;2-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;1-[(4R)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethane-1,2-diol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine
SMILESCc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=N[C@@H](C(O)CO)CO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=N[C@H](CS(C)(=O)=O)CO5)cc34)cc2C)cn1.OCC1(CO)COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1.OCC1COC(Nc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.OCCC1COC(Nc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.OCCC1COC(Nc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)=N1
InChIInChI=1S/C26H23ClFN5O3.C26H26N6O4S.C26H26N6O4.C25H21ClFN5O3.C25H23ClN6O3.C23H21ClN6O4S/c27-22-12-19(5-7-24(22)35-13-16-2-1-3-17(28)10-16)31-25-21-11-18(4-6-23(21)29-15-30-25)32-26-33-20(8-9-34)14-36-26;1-16-10-18(6-9-24(16)36-21-7-4-17(2)27-12-21)30-25-22-11-19(5-8-23(22)28-15-29-25)31-26-32-20(13-35-26)14-37(3,33)34;1-15-9-17(5-8-24(15)36-19-6-3-16(2)27-11-19)30-25-20-10-18(4-7-21(20)28-14-29-25)31-26-32-22(13-35-26)23(34)12-33;26-21-10-18(5-7-23(21)34-12-15-2-1-3-16(27)8-15)30-24-20-9-17(4-6-22(20)28-14-29-24)31-25-32-19(11-33)13-35-25;26-21-12-17(5-7-23(21)34-13-18-3-1-2-9-27-18)30-24-20-11-16(4-6-22(20)28-15-29-24)31-25-32-19(8-10-33)14-35-25;24-17-8-15(2-4-19(17)33-9-20-25-5-6-35-20)28-21-16-7-14(1-3-18(16)26-13-27-21)29-22-30-23(10-31,11-32)12-34-22/h1-7,10-12,15,20,34H,8-9,13-14H2,(H,32,33)(H,29,30,31);4-12,15,20H,13-14H2,1-3H3,(H,31,32)(H,28,29,30);3-11,14,22-23,33-34H,12-13H2,1-2H3,(H,31,32)(H,28,29,30);1-10,14,19,33H,11-13H2,(H,31,32)(H,28,29,30);1-7,9,11-12,15,19,33H,8,10,13-14H2,(H,31,32)(H,28,29,30);1-8,13,31-32H,9-12H2,(H,29,30)(H,26,27,28)/t;20-;22-,23?;;;/m.01.../s1
InChIKeyBHTLNWJDFFJYCK-JGUIVVIMSA-N
XLogP26.42
TPSA711.27 Ų
H-Bond Donors19
H-Bond Acceptors56
Rotatable Bonds45
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003010.94
LogP ≤ 526.42
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1056

Analyze 2-[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;2-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;1-[(4R)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethane-1,2-diol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[(4S)-4-(methylsulfonylmethyl)-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 2-[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;2-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;1-[(4R)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethane-1,2-diol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine?
The IUPAC name of 2-[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;2-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;1-[(4R)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethane-1,2-diol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine (CID 157353084) is 2-[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;2-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;1-[(4R)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethane-1,2-diol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine.
What is the SMILES notation for 2-[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;2-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;1-[(4R)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethane-1,2-diol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine?
The canonical SMILES for 2-[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;2-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;1-[(4R)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethane-1,2-diol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine is Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=N[C@@H](C(O)CO)CO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=N[C@H](CS(C)(=O)=O)CO5)cc34)cc2C)cn1.OCC1(CO)COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1.OCC1COC(Nc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.OCCC1COC(Nc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.OCCC1COC(Nc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)=N1.
What is the InChIKey of 2-[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;2-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;1-[(4R)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethane-1,2-diol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine?
The InChIKey is BHTLNWJDFFJYCK-JGUIVVIMSA-N. The full InChI is InChI=1S/C26H23ClFN5O3.C26H26N6O4S.C26H26N6O4.C25H21ClFN5O3.C25H23ClN6O3.C23H21ClN6O4S/c27-22-12-19(5-7-24(22)35-13-16-2-1-3-17(28)10-16)31-25-21-11-18(4-6-23(21)29-15-30-25)32-26-33-20(8-9-34)14-36-26;1-16-10-18(6-9-24(16)36-21-7-4-17(2)27-12-21)30-25-22-11-19(5-8-23(22)28-15-29-25)31-26-32-20(13-35-26)14-37(3,33)34;1-15-9-17(5-8-24(15)36-19-6-3-16(2)27-11-19)30-25-20-10-18(4-7-21(20)28-14-29-25)31-26-32-22(13-35-26)23(34)12-33;26-21-10-18(5-7-23(21)34-12-15-2-1-3-16(27)8-15)30-24-20-9-17(4-6-22(20)28-14-29-24)31-25-32-19(11-33)13-35-25;26-21-12-17(5-7-23(21)34-13-18-3-1-2-9-27-18)30-24-20-11-16(4-6-22(20)28-15-29-24)31-25-32-19(8-10-33)14-35-25;24-17-8-15(2-4-19(17)33-9-20-25-5-6-35-20)28-21-16-7-14(1-3-18(16)26-13-27-21)29-22-30-23(10-31,11-32)12-34-22/h1-7,10-12,15,20,34H,8-9,13-14H2,(H,32,33)(H,29,30,31);4-12,15,20H,13-14H2,1-3H3,(H,31,32)(H,28,29,30);3-11,14,22-23,33-34H,12-13H2,1-2H3,(H,31,32)(H,28,29,30);1-10,14,19,33H,11-13H2,(H,31,32)(H,28,29,30);1-7,9,11-12,15,19,33H,8,10,13-14H2,(H,31,32)(H,28,29,30);1-8,13,31-32H,9-12H2,(H,29,30)(H,26,27,28)/t;20-;22-,23?;;;/m.01.../s1.
What are the key properties of 2-[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;2-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;1-[(4R)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethane-1,2-diol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine?
2-[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;2-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;1-[(4R)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethane-1,2-diol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine has a molecular weight of 3010.94 g/mol, XLogP of 26.42, 45 rotatable bonds, 19 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;2-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol;1-[(4R)-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethane-1,2-diol;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-[(4S)-4-(methylsulfonylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine is sourced from PubChem (CID 157353084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).