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

C151H143Cl3N36O16S — CID 158446273

IUPAC6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol;[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-methyl-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-5-methyl-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4H-1,3-oxazol-5-yl]ethanol
SMILESCC1(C)COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1.CC1(CO)COC(Nc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)=N1.C[C@@H](O)[C@]1(C)CN=C(Nc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)O1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NC6COCC6O5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NCCO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NC[C@@](C)([C@@H](C)O)O5)cc34)cc2C)cn1
InChIInChI=1S/C27H28N6O3.C26H25ClN6O3.C26H24N6O3.C25H23ClN6O3.C24H22N6O2.C23H21ClN6O2S/c1-16-11-19(7-10-24(16)35-21-8-5-17(2)28-13-21)32-25-22-12-20(6-9-23(22)30-15-31-25)33-26-29-14-27(4,36-26)18(3)34;1-16(34)26(2)14-29-25(36-26)33-17-6-8-22-20(11-17)24(31-15-30-22)32-18-7-9-23(21(27)12-18)35-13-19-5-3-4-10-28-19;1-15-9-17(5-8-23(15)34-19-6-3-16(2)27-11-19)30-25-20-10-18(4-7-21(20)28-14-29-25)31-26-32-22-12-33-13-24(22)35-26;1-25(13-33)14-35-24(32-25)31-16-5-7-21-19(10-16)23(29-15-28-21)30-17-6-8-22(20(26)11-17)34-12-18-4-2-3-9-27-18;1-15-11-17(5-8-22(15)32-19-6-3-16(2)26-13-19)29-23-20-12-18(30-24-25-9-10-31-24)4-7-21(20)27-14-28-23;1-23(2)12-32-22(30-23)29-14-3-5-18-16(9-14)21(27-13-26-18)28-15-4-6-19(17(24)10-15)31-11-20-25-7-8-33-20/h5-13,15,18,34H,14H2,1-4H3,(H,29,33)(H,30,31,32);3-12,15-16,34H,13-14H2,1-2H3,(H,29,33)(H,30,31,32);3-11,14,22,24H,12-13H2,1-2H3,(H,31,32)(H,28,29,30);2-11,15,33H,12-14H2,1H3,(H,31,32)(H,28,29,30);3-8,11-14H,9-10H2,1-2H3,(H,25,30)(H,27,28,29);3-10,13H,11-12H2,1-2H3,(H,29,30)(H,26,27,28)/t18-,27+;16-,26+;;;;/m11..../s1
InChIKeyHDKVKCNXEYJXCR-KCFQJFPMSA-N
MW2856.47 g/mol
LogP29.96
Rot. Bonds36

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

6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol;[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-methyl-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-5-methyl-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4H-1,3-oxazol-5-yl]ethanol (PubChem CID 158446273) has the molecular formula C151H143Cl3N36O16S and a molecular weight of 2856.47 g/mol. Its IUPAC name is 6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol;[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-methyl-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-5-methyl-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4H-1,3-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol;[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-methyl-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-5-methyl-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4H-1,3-oxazol-5-yl]ethanol
PubChem CID158446273
Molecular FormulaC151H143Cl3N36O16S
Molecular Weight2856.47 g/mol
Exact Mass2853.03
IUPAC Name6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol;[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-methyl-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-5-methyl-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4H-1,3-oxazol-5-yl]ethanol
SMILESCC1(C)COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1.CC1(CO)COC(Nc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)=N1.C[C@@H](O)[C@]1(C)CN=C(Nc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)O1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NC6COCC6O5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NCCO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NC[C@@](C)([C@@H](C)O)O5)cc34)cc2C)cn1
InChIInChI=1S/C27H28N6O3.C26H25ClN6O3.C26H24N6O3.C25H23ClN6O3.C24H22N6O2.C23H21ClN6O2S/c1-16-11-19(7-10-24(16)35-21-8-5-17(2)28-13-21)32-25-22-12-20(6-9-23(22)30-15-31-25)33-26-29-14-27(4,36-26)18(3)34;1-16(34)26(2)14-29-25(36-26)33-17-6-8-22-20(11-17)24(31-15-30-22)32-18-7-9-23(21(27)12-18)35-13-19-5-3-4-10-28-19;1-15-9-17(5-8-23(15)34-19-6-3-16(2)27-11-19)30-25-20-10-18(4-7-21(20)28-14-29-25)31-26-32-22-12-33-13-24(22)35-26;1-25(13-33)14-35-24(32-25)31-16-5-7-21-19(10-16)23(29-15-28-21)30-17-6-8-22(20(26)11-17)34-12-18-4-2-3-9-27-18;1-15-11-17(5-8-22(15)32-19-6-3-16(2)26-13-19)29-23-20-12-18(30-24-25-9-10-31-24)4-7-21(20)27-14-28-23;1-23(2)12-32-22(30-23)29-14-3-5-18-16(9-14)21(27-13-26-18)28-15-4-6-19(17(24)10-15)31-11-20-25-7-8-33-20/h5-13,15,18,34H,14H2,1-4H3,(H,29,33)(H,30,31,32);3-12,15-16,34H,13-14H2,1-2H3,(H,29,33)(H,30,31,32);3-11,14,22,24H,12-13H2,1-2H3,(H,31,32)(H,28,29,30);2-11,15,33H,12-14H2,1H3,(H,31,32)(H,28,29,30);3-8,11-14H,9-10H2,1-2H3,(H,25,30)(H,27,28,29);3-10,13H,11-12H2,1-2H3,(H,29,30)(H,26,27,28)/t18-,27+;16-,26+;;;;/m11..../s1
InChIKeyHDKVKCNXEYJXCR-KCFQJFPMSA-N
XLogP29.96
TPSA631.22 Ų
H-Bond Donors15
H-Bond Acceptors53
Rotatable Bonds36
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002856.47
LogP ≤ 529.96
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1053

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

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Launch Full Analysis

Related Compounds

4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(5S)-5-(phenoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine
CID 118726555
4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(5R)-5-(phenoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine
CID 118726554
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-(1,8-dioxa-3-azaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine
CID 59835140
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
4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine
CID 59835159

Frequently Asked Questions

What is the IUPAC name of 6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol;[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-methyl-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-5-methyl-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4H-1,3-oxazol-5-yl]ethanol?
The IUPAC name of 6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol;[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-methyl-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-5-methyl-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4H-1,3-oxazol-5-yl]ethanol (CID 158446273) is 6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol;[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-methyl-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-5-methyl-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4H-1,3-oxazol-5-yl]ethanol.
What is the SMILES notation for 6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol;[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-methyl-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-5-methyl-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4H-1,3-oxazol-5-yl]ethanol?
The canonical SMILES for 6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol;[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-methyl-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-5-methyl-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4H-1,3-oxazol-5-yl]ethanol is CC1(C)COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1.CC1(CO)COC(Nc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)=N1.C[C@@H](O)[C@]1(C)CN=C(Nc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)O1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NC6COCC6O5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NCCO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NC[C@@](C)([C@@H](C)O)O5)cc34)cc2C)cn1.
What is the InChIKey of 6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol;[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-methyl-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-5-methyl-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4H-1,3-oxazol-5-yl]ethanol?
The InChIKey is HDKVKCNXEYJXCR-KCFQJFPMSA-N. The full InChI is InChI=1S/C27H28N6O3.C26H25ClN6O3.C26H24N6O3.C25H23ClN6O3.C24H22N6O2.C23H21ClN6O2S/c1-16-11-19(7-10-24(16)35-21-8-5-17(2)28-13-21)32-25-22-12-20(6-9-23(22)30-15-31-25)33-26-29-14-27(4,36-26)18(3)34;1-16(34)26(2)14-29-25(36-26)33-17-6-8-22-20(11-17)24(31-15-30-22)32-18-7-9-23(21(27)12-18)35-13-19-5-3-4-10-28-19;1-15-9-17(5-8-23(15)34-19-6-3-16(2)27-11-19)30-25-20-10-18(4-7-21(20)28-14-29-25)31-26-32-22-12-33-13-24(22)35-26;1-25(13-33)14-35-24(32-25)31-16-5-7-21-19(10-16)23(29-15-28-21)30-17-6-8-22(20(26)11-17)34-12-18-4-2-3-9-27-18;1-15-11-17(5-8-22(15)32-19-6-3-16(2)26-13-19)29-23-20-12-18(30-24-25-9-10-31-24)4-7-21(20)27-14-28-23;1-23(2)12-32-22(30-23)29-14-3-5-18-16(9-14)21(27-13-26-18)28-15-4-6-19(17(24)10-15)31-11-20-25-7-8-33-20/h5-13,15,18,34H,14H2,1-4H3,(H,29,33)(H,30,31,32);3-12,15-16,34H,13-14H2,1-2H3,(H,29,33)(H,30,31,32);3-11,14,22,24H,12-13H2,1-2H3,(H,31,32)(H,28,29,30);2-11,15,33H,12-14H2,1H3,(H,31,32)(H,28,29,30);3-8,11-14H,9-10H2,1-2H3,(H,25,30)(H,27,28,29);3-10,13H,11-12H2,1-2H3,(H,29,30)(H,26,27,28)/t18-,27+;16-,26+;;;;/m11..../s1.
What are the key properties of 6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol;[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-methyl-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-5-methyl-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4H-1,3-oxazol-5-yl]ethanol?
6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol;[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-methyl-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-5-methyl-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4H-1,3-oxazol-5-yl]ethanol has a molecular weight of 2856.47 g/mol, XLogP of 29.96, 36 rotatable bonds, 15 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol;[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-4-methyl-5H-1,3-oxazol-4-yl]methanol;4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)quinazoline-4,6-diamine;6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;(1R)-1-[(5S)-5-methyl-2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-4H-1,3-oxazol-5-yl]ethanol is sourced from PubChem (CID 158446273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).