N-[3-chloro-4-(2,6-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine

C158H144Cl5F3N30O13S2 — CID 158157499

IUPACN-[3-chloro-4-(2,6-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
SMILESCC1(C)COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.CCC1COC(Cc2ccc3ncnc(Nc4ccc(Oc5ccc(C)nc5)c(C)c4)c3c2)=N1.Clc1cc(Nc2ncnc3ccc(CC4=NC5(CCNCC5)CO4)cc23)ccc1OCc1ccccn1.Clc1cc(Nc2ncnc3ccc(CC4=NC5(CCNCC5)CO4)cc23)ccc1OCc1nccs1.Clc1cc(Nc2ncnc3ccc(CC4=NC5(CCOCC5)CO4)cc23)ccc1OCc1nccs1.Fc1cccc(F)c1Oc1ccc(Nc2ncnc3ccc(CC4=NCCO4)cc23)cc1Cl
InChIInChI=1S/C28H27ClN6O2.C27H24ClFN4O2.C27H27N5O2.C26H25ClN6O2S.C26H24ClN5O3S.C24H17ClF2N4O2/c29-23-15-20(5-7-25(23)36-16-21-3-1-2-10-31-21)34-27-22-13-19(4-6-24(22)32-18-33-27)14-26-35-28(17-37-26)8-11-30-12-9-28;1-27(2)15-35-25(33-27)12-17-6-8-23-21(11-17)26(31-16-30-23)32-20-7-9-24(22(28)13-20)34-14-18-4-3-5-19(29)10-18;1-4-20-15-33-26(31-20)13-19-6-9-24-23(12-19)27(30-16-29-24)32-21-7-10-25(17(2)11-21)34-22-8-5-18(3)28-14-22;27-20-13-18(2-4-22(20)34-14-24-29-9-10-36-24)32-25-19-11-17(1-3-21(19)30-16-31-25)12-23-33-26(15-35-23)5-7-28-8-6-26;27-20-13-18(2-4-22(20)34-14-24-28-7-10-36-24)31-25-19-11-17(1-3-21(19)29-16-30-25)12-23-32-26(15-35-23)5-8-33-9-6-26;25-17-12-15(5-7-21(17)33-23-18(26)2-1-3-19(23)27)31-24-16-10-14(11-22-28-8-9-32-22)4-6-20(16)29-13-30-24/h1-7,10,13,15,18,30H,8-9,11-12,14,16-17H2,(H,32,33,34);3-11,13,16H,12,14-15H2,1-2H3,(H,30,31,32);5-12,14,16,20H,4,13,15H2,1-3H3,(H,29,30,32);1-4,9-11,13,16,28H,5-8,12,14-15H2,(H,30,31,32);1-4,7,10-11,13,16H,5-6,8-9,12,14-15H2,(H,29,30,31);1-7,10,12-13H,8-9,11H2,(H,29,30,31)
InChIKeyFVWDYPYCWFDUIW-UHFFFAOYSA-N
MW2969.48 g/mol
LogP34.32
Rot. Bonds41

About N-[3-chloro-4-(2,6-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine

N-[3-chloro-4-(2,6-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine (PubChem CID 158157499) has the molecular formula C158H144Cl5F3N30O13S2 and a molecular weight of 2969.48 g/mol. Its IUPAC name is N-[3-chloro-4-(2,6-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[3-chloro-4-(2,6-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
PubChem CID158157499
Molecular FormulaC158H144Cl5F3N30O13S2
Molecular Weight2969.48 g/mol
Exact Mass2964.94
IUPAC NameN-[3-chloro-4-(2,6-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
SMILESCC1(C)COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.CCC1COC(Cc2ccc3ncnc(Nc4ccc(Oc5ccc(C)nc5)c(C)c4)c3c2)=N1.Clc1cc(Nc2ncnc3ccc(CC4=NC5(CCNCC5)CO4)cc23)ccc1OCc1ccccn1.Clc1cc(Nc2ncnc3ccc(CC4=NC5(CCNCC5)CO4)cc23)ccc1OCc1nccs1.Clc1cc(Nc2ncnc3ccc(CC4=NC5(CCOCC5)CO4)cc23)ccc1OCc1nccs1.Fc1cccc(F)c1Oc1ccc(Nc2ncnc3ccc(CC4=NCCO4)cc23)cc1Cl
InChIInChI=1S/C28H27ClN6O2.C27H24ClFN4O2.C27H27N5O2.C26H25ClN6O2S.C26H24ClN5O3S.C24H17ClF2N4O2/c29-23-15-20(5-7-25(23)36-16-21-3-1-2-10-31-21)34-27-22-13-19(4-6-24(22)32-18-33-27)14-26-35-28(17-37-26)8-11-30-12-9-28;1-27(2)15-35-25(33-27)12-17-6-8-23-21(11-17)26(31-16-30-23)32-20-7-9-24(22(28)13-20)34-14-18-4-3-5-19(29)10-18;1-4-20-15-33-26(31-20)13-19-6-9-24-23(12-19)27(30-16-29-24)32-21-7-10-25(17(2)11-21)34-22-8-5-18(3)28-14-22;27-20-13-18(2-4-22(20)34-14-24-29-9-10-36-24)32-25-19-11-17(1-3-21(19)30-16-31-25)12-23-33-26(15-35-23)5-7-28-8-6-26;27-20-13-18(2-4-22(20)34-14-24-28-7-10-36-24)31-25-19-11-17(1-3-21(19)29-16-30-25)12-23-32-26(15-35-23)5-8-33-9-6-26;25-17-12-15(5-7-21(17)33-23-18(26)2-1-3-19(23)27)31-24-16-10-14(11-22-28-8-9-32-22)4-6-20(16)29-13-30-24/h1-7,10,13,15,18,30H,8-9,11-12,14,16-17H2,(H,32,33,34);3-11,13,16H,12,14-15H2,1-2H3,(H,30,31,32);5-12,14,16,20H,4,13,15H2,1-3H3,(H,29,30,32);1-4,9-11,13,16,28H,5-8,12,14-15H2,(H,30,31,32);1-4,7,10-11,13,16H,5-6,8-9,12,14-15H2,(H,29,30,31);1-7,10,12-13H,8-9,11H2,(H,29,30,31)
InChIKeyFVWDYPYCWFDUIW-UHFFFAOYSA-N
XLogP34.32
TPSA496.63 Ų
H-Bond Donors8
H-Bond Acceptors45
Rotatable Bonds41
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002969.48
LogP ≤ 534.32
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1045

Analyze N-[3-chloro-4-(2,6-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[1-(2-pyridin-2-yl-1-sulfonylethoxy)propyl]-1,3-thiazol-4-yl]quinazolin-4-amine
CID 22017694
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[(2-pyridin-2-yl-1-sulfonylethoxy)methyl]-1,3-thiazol-4-yl]quinazolin-4-amine
CID 22017766
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-fluoro-6-[2-[(2-pyridin-2-yl-1-sulfonylethoxy)methyl]-1,3-thiazol-4-yl]quinazolin-4-amine
CID 22018086
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-fluoro-6-[2-[1-(2-pyridin-2-yl-1-sulfonylethoxy)propyl]-1,3-thiazol-4-yl]quinazolin-4-amine
CID 22018211
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[1-(2-pyridin-2-yl-1-sulfonylethoxy)ethyl]-1,3-thiazol-4-yl]quinazolin-4-amine
CID 22018218
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-fluoro-6-[2-[1-(2-pyridin-2-yl-1-sulfonylethoxy)ethyl]-1,3-thiazol-4-yl]quinazolin-4-amine
CID 22018248
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-(2-pyridin-2-ylsulfonylethoxymethyl)-1,3-thiazol-4-yl]quinazolin-4-amine
CID 68872733
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-fluoro-6-[2-(2-pyridin-2-ylsulfonylethoxymethyl)-1,3-thiazol-4-yl]quinazolin-4-amine
CID 68873450
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[1-(2-pyridin-2-ylsulfonylethoxy)propyl]-1,3-thiazol-4-yl]quinazolin-4-amine
CID 68873471
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-fluoro-6-[2-[1-(2-pyridin-2-ylsulfonylethoxy)ethyl]-1,3-thiazol-4-yl]quinazolin-4-amine
CID 68873764
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-fluoro-6-[2-[1-(2-pyridin-2-ylsulfonylethoxy)propyl]-1,3-thiazol-4-yl]quinazolin-4-amine
CID 68874317
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[1-(2-pyridin-2-ylsulfonylethoxy)ethyl]-1,3-thiazol-4-yl]quinazolin-4-amine
CID 68876888

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2,6-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?
The IUPAC name of N-[3-chloro-4-(2,6-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine (CID 158157499) is N-[3-chloro-4-(2,6-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine.
What is the SMILES notation for N-[3-chloro-4-(2,6-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?
The canonical SMILES for N-[3-chloro-4-(2,6-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine is CC1(C)COC(Cc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)=N1.CCC1COC(Cc2ccc3ncnc(Nc4ccc(Oc5ccc(C)nc5)c(C)c4)c3c2)=N1.Clc1cc(Nc2ncnc3ccc(CC4=NC5(CCNCC5)CO4)cc23)ccc1OCc1ccccn1.Clc1cc(Nc2ncnc3ccc(CC4=NC5(CCNCC5)CO4)cc23)ccc1OCc1nccs1.Clc1cc(Nc2ncnc3ccc(CC4=NC5(CCOCC5)CO4)cc23)ccc1OCc1nccs1.Fc1cccc(F)c1Oc1ccc(Nc2ncnc3ccc(CC4=NCCO4)cc23)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(2,6-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?
The InChIKey is FVWDYPYCWFDUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN6O2.C27H24ClFN4O2.C27H27N5O2.C26H25ClN6O2S.C26H24ClN5O3S.C24H17ClF2N4O2/c29-23-15-20(5-7-25(23)36-16-21-3-1-2-10-31-21)34-27-22-13-19(4-6-24(22)32-18-33-27)14-26-35-28(17-37-26)8-11-30-12-9-28;1-27(2)15-35-25(33-27)12-17-6-8-23-21(11-17)26(31-16-30-23)32-20-7-9-24(22(28)13-20)34-14-18-4-3-5-19(29)10-18;1-4-20-15-33-26(31-20)13-19-6-9-24-23(12-19)27(30-16-29-24)32-21-7-10-25(17(2)11-21)34-22-8-5-18(3)28-14-22;27-20-13-18(2-4-22(20)34-14-24-29-9-10-36-24)32-25-19-11-17(1-3-21(19)30-16-31-25)12-23-33-26(15-35-23)5-7-28-8-6-26;27-20-13-18(2-4-22(20)34-14-24-28-7-10-36-24)31-25-19-11-17(1-3-21(19)29-16-30-25)12-23-32-26(15-35-23)5-8-33-9-6-26;25-17-12-15(5-7-21(17)33-23-18(26)2-1-3-19(23)27)31-24-16-10-14(11-22-28-8-9-32-22)4-6-20(16)29-13-30-24/h1-7,10,13,15,18,30H,8-9,11-12,14,16-17H2,(H,32,33,34);3-11,13,16H,12,14-15H2,1-2H3,(H,30,31,32);5-12,14,16,20H,4,13,15H2,1-3H3,(H,29,30,32);1-4,9-11,13,16,28H,5-8,12,14-15H2,(H,30,31,32);1-4,7,10-11,13,16H,5-6,8-9,12,14-15H2,(H,29,30,31);1-7,10,12-13H,8-9,11H2,(H,29,30,31).
What are the key properties of N-[3-chloro-4-(2,6-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine?
N-[3-chloro-4-(2,6-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine has a molecular weight of 2969.48 g/mol, XLogP of 34.32, 41 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2,6-difluorophenoxy)phenyl]-6-(4,5-dihydro-1,3-oxazol-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-ylmethyl)quinazolin-4-amine;6-[(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine is sourced from PubChem (CID 158157499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).