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

C122H112Cl4FN29O12S2 — CID 158614348

IUPAC[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;2-[(4S)-2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine
SMILESC[C@@H]1N=C(Nc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)O[C@H]1C.C[C@@H]1N=C(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)O[C@H]1C.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=N[C@@H](C)[C@H](C)O5)cc34)cc2C)cn1.OCC[C@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1.OC[C@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1
InChIInChI=1S/C26H26N6O2.C25H21ClFN5O3.C25H23ClN6O2.C23H21ClN6O3S.C23H21ClN6O2S/c1-15-11-19(7-10-24(15)34-21-8-5-16(2)27-13-21)31-25-22-12-20(6-9-23(22)28-14-29-25)32-26-30-17(3)18(4)33-26;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;1-15-16(2)34-25(30-15)32-17-6-8-22-20(11-17)24(29-14-28-22)31-18-7-9-23(21(26)12-18)33-13-19-5-3-4-10-27-19;24-18-10-15(2-4-20(18)32-12-21-25-6-8-34-21)28-22-17-9-14(1-3-19(17)26-13-27-22)29-23-30-16(5-7-31)11-33-23;1-13-14(2)32-23(28-13)30-15-3-5-19-17(9-15)22(27-12-26-19)29-16-4-6-20(18(24)10-16)31-11-21-25-7-8-33-21/h5-14,17-18H,1-4H3,(H,30,32)(H,28,29,31);1-10,14,19,33H,11-13H2,(H,31,32)(H,28,29,30);3-12,14-16H,13H2,1-2H3,(H,30,32)(H,28,29,31);1-4,6,8-10,13,16,31H,5,7,11-12H2,(H,29,30)(H,26,27,28);3-10,12-14H,11H2,1-2H3,(H,28,30)(H,26,27,29)/t17-,18-;19-;15-,16-;16-;13-,14-/m00000/s1
InChIKeyHXFBQGAHBSVKLN-IQKFIZPXSA-N
MW2401.37 g/mol
LogP26.48
Rot. Bonds32

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

[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;2-[(4S)-2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine (PubChem CID 158614348) has the molecular formula C122H112Cl4FN29O12S2 and a molecular weight of 2401.37 g/mol. Its IUPAC name is [(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;2-[(4S)-2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;2-[(4S)-2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine
PubChem CID158614348
Molecular FormulaC122H112Cl4FN29O12S2
Molecular Weight2401.37 g/mol
Exact Mass2397.72
IUPAC Name[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;2-[(4S)-2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine
SMILESC[C@@H]1N=C(Nc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)O[C@H]1C.C[C@@H]1N=C(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)O[C@H]1C.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=N[C@@H](C)[C@H](C)O5)cc34)cc2C)cn1.OCC[C@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1.OC[C@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1
InChIInChI=1S/C26H26N6O2.C25H21ClFN5O3.C25H23ClN6O2.C23H21ClN6O3S.C23H21ClN6O2S/c1-15-11-19(7-10-24(15)34-21-8-5-16(2)27-13-21)31-25-22-12-20(6-9-23(22)28-14-29-25)32-26-30-17(3)18(4)33-26;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;1-15-16(2)34-25(30-15)32-17-6-8-22-20(11-17)24(29-14-28-22)31-18-7-9-23(21(26)12-18)33-13-19-5-3-4-10-27-19;24-18-10-15(2-4-20(18)32-12-21-25-6-8-34-21)28-22-17-9-14(1-3-19(17)26-13-27-22)29-23-30-16(5-7-31)11-33-23;1-13-14(2)32-23(28-13)30-15-3-5-19-17(9-15)22(27-12-26-19)29-16-4-6-20(18(24)10-16)31-11-21-25-7-8-33-21/h5-14,17-18H,1-4H3,(H,30,32)(H,28,29,31);1-10,14,19,33H,11-13H2,(H,31,32)(H,28,29,30);3-12,14-16H,13H2,1-2H3,(H,30,32)(H,28,29,31);1-4,6,8-10,13,16,31H,5,7,11-12H2,(H,29,30)(H,26,27,28);3-10,12-14H,11H2,1-2H3,(H,28,30)(H,26,27,29)/t17-,18-;19-;15-,16-;16-;13-,14-/m00000/s1
InChIKeyHXFBQGAHBSVKLN-IQKFIZPXSA-N
XLogP26.48
TPSA495.32 Ų
H-Bond Donors12
H-Bond Acceptors43
Rotatable Bonds32
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002401.37
LogP ≤ 526.48
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1043

Analyze [(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;2-[(4S)-2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

Varlitinib Tosylate
CID 44225877
4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine
CID 11497331
6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]quinazoline-4,6-diamine
CID 11547764
N4-[3-Chloro-4-(thiazol-2-ylmethoxy)-phenyl]-N6-(4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]oxazol-2-yl)-quinazoline-4,6-diamine
CID 11598425
1-[2-[[4-[3-Chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol
CID 59835132
[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-methyl-5H-1,3-oxazol-4-yl]methanol
CID 59835137
[2-[[4-[3-Chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol
CID 59835138
4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4R,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine
CID 59835151
[2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol
CID 59835152
(3aR,5R,6aS)-2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-5-ol
CID 59835171
(1R)-1-[(5S)-2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol
CID 59835180
4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine
CID 59835192

Frequently Asked Questions

What is the IUPAC name of [(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;2-[(4S)-2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine?
The IUPAC name of [(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;2-[(4S)-2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine (CID 158614348) is [(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;2-[(4S)-2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine.
What is the SMILES notation for [(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;2-[(4S)-2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine?
The canonical SMILES for [(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;2-[(4S)-2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine is C[C@@H]1N=C(Nc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)O[C@H]1C.C[C@@H]1N=C(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)O[C@H]1C.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=N[C@@H](C)[C@H](C)O5)cc34)cc2C)cn1.OCC[C@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1.OC[C@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.
What is the InChIKey of [(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;2-[(4S)-2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine?
The InChIKey is HXFBQGAHBSVKLN-IQKFIZPXSA-N. The full InChI is InChI=1S/C26H26N6O2.C25H21ClFN5O3.C25H23ClN6O2.C23H21ClN6O3S.C23H21ClN6O2S/c1-15-11-19(7-10-24(15)34-21-8-5-16(2)27-13-21)31-25-22-12-20(6-9-23(22)28-14-29-25)32-26-30-17(3)18(4)33-26;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;1-15-16(2)34-25(30-15)32-17-6-8-22-20(11-17)24(29-14-28-22)31-18-7-9-23(21(26)12-18)33-13-19-5-3-4-10-27-19;24-18-10-15(2-4-20(18)32-12-21-25-6-8-34-21)28-22-17-9-14(1-3-19(17)26-13-27-22)29-23-30-16(5-7-31)11-33-23;1-13-14(2)32-23(28-13)30-15-3-5-19-17(9-15)22(27-12-26-19)29-16-4-6-20(18(24)10-16)31-11-21-25-7-8-33-21/h5-14,17-18H,1-4H3,(H,30,32)(H,28,29,31);1-10,14,19,33H,11-13H2,(H,31,32)(H,28,29,30);3-12,14-16H,13H2,1-2H3,(H,30,32)(H,28,29,31);1-4,6,8-10,13,16,31H,5,7,11-12H2,(H,29,30)(H,26,27,28);3-10,12-14H,11H2,1-2H3,(H,28,30)(H,26,27,29)/t17-,18-;19-;15-,16-;16-;13-,14-/m00000/s1.
What are the key properties of [(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;2-[(4S)-2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine?
[(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;2-[(4S)-2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine has a molecular weight of 2401.37 g/mol, XLogP of 26.48, 32 rotatable bonds, 12 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;2-[(4S)-2-[[4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4,5-dihydro-1,3-oxazol-4-yl]ethanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine;6-N-[(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl]-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine is sourced from PubChem (CID 158614348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).