6-N-(4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine;6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine

C165H164ClN41O14 — CID 159062652

IUPAC6-N-(4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine;6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine
SMILESCC(=O)N1CC2N=C(Nc3ccc4ncnc(Nc5ccc(Oc6ccc(C)nc6)c(C)c5)c4c3)OC2C1.CC(=O)N1CCC2(CC1)COC(Nc1ccc3ncnc(Nc4ccc(Oc5ccc(C)nc5)c(C)c4)c3c1)=N2.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NC(C)(C)CO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NC6(CCNCC6)CO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NC6CNCC6O5)cc34)cc2C)cn1.Clc1cc(Nc2ncnc3ccc(NC4=NCC5(CCNCC5)O4)cc23)ccc1OCc1ccccn1
InChIInChI=1S/C30H31N7O3.C28H27N7O3.C28H29N7O2.C27H26ClN7O2.C26H25N7O2.C26H26N6O2/c1-19-14-22(6-9-27(19)40-24-7-4-20(2)31-16-24)34-28-25-15-23(5-8-26(25)32-18-33-28)35-29-36-30(17-39-29)10-12-37(13-11-30)21(3)38;1-16-10-19(6-9-25(16)37-21-7-4-17(2)29-12-21)32-27-22-11-20(5-8-23(22)30-15-31-27)33-28-34-24-13-35(18(3)36)14-26(24)38-28;1-18-13-20(5-8-25(18)37-22-6-3-19(2)30-15-22)33-26-23-14-21(4-7-24(23)31-17-32-26)34-27-35-28(16-36-27)9-11-29-12-10-28;28-22-14-19(5-7-24(22)36-15-20-3-1-2-10-30-20)34-25-21-13-18(4-6-23(21)32-17-33-25)35-26-31-16-27(37-26)8-11-29-12-9-27;1-15-9-17(5-8-23(15)34-19-6-3-16(2)28-11-19)31-25-20-10-18(4-7-21(20)29-14-30-25)32-26-33-22-12-27-13-24(22)35-26;1-16-11-18(7-10-23(16)34-20-8-5-17(2)27-13-20)30-24-21-12-19(6-9-22(21)28-15-29-24)31-25-32-26(3,4)14-33-25/h4-9,14-16,18H,10-13,17H2,1-3H3,(H,35,36)(H,32,33,34);4-12,15,24,26H,13-14H2,1-3H3,(H,33,34)(H,30,31,32);3-8,13-15,17,29H,9-12,16H2,1-2H3,(H,34,35)(H,31,32,33);1-7,10,13-14,17,29H,8-9,11-12,15-16H2,(H,31,35)(H,32,33,34);3-11,14,22,24,27H,12-13H2,1-2H3,(H,32,33)(H,29,30,31);5-13,15H,14H2,1-4H3,(H,31,32)(H,28,29,30)
InChIKeyJYQWVJMAUPQIFJ-UHFFFAOYSA-N
MW2980.85 g/mol
LogP30.02
Rot. Bonds31

About 6-N-(4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine;6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine

6-N-(4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine;6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine (PubChem CID 159062652) has the molecular formula C165H164ClN41O14 and a molecular weight of 2980.85 g/mol. Its IUPAC name is 6-N-(4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine;6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name6-N-(4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine;6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine
PubChem CID159062652
Molecular FormulaC165H164ClN41O14
Molecular Weight2980.85 g/mol
Exact Mass2978.31
IUPAC Name6-N-(4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine;6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine
SMILESCC(=O)N1CC2N=C(Nc3ccc4ncnc(Nc5ccc(Oc6ccc(C)nc6)c(C)c5)c4c3)OC2C1.CC(=O)N1CCC2(CC1)COC(Nc1ccc3ncnc(Nc4ccc(Oc5ccc(C)nc5)c(C)c4)c3c1)=N2.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NC(C)(C)CO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NC6(CCNCC6)CO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NC6CNCC6O5)cc34)cc2C)cn1.Clc1cc(Nc2ncnc3ccc(NC4=NCC5(CCNCC5)O4)cc23)ccc1OCc1ccccn1
InChIInChI=1S/C30H31N7O3.C28H27N7O3.C28H29N7O2.C27H26ClN7O2.C26H25N7O2.C26H26N6O2/c1-19-14-22(6-9-27(19)40-24-7-4-20(2)31-16-24)34-28-25-15-23(5-8-26(25)32-18-33-28)35-29-36-30(17-39-29)10-12-37(13-11-30)21(3)38;1-16-10-19(6-9-25(16)37-21-7-4-17(2)29-12-21)32-27-22-11-20(5-8-23(22)30-15-31-27)33-28-34-24-13-35(18(3)36)14-26(24)38-28;1-18-13-20(5-8-25(18)37-22-6-3-19(2)30-15-22)33-26-23-14-21(4-7-24(23)31-17-32-26)34-27-35-28(16-36-27)9-11-29-12-10-28;28-22-14-19(5-7-24(22)36-15-20-3-1-2-10-30-20)34-25-21-13-18(4-6-23(21)32-17-33-25)35-26-31-16-27(37-26)8-11-29-12-9-27;1-15-9-17(5-8-23(15)34-19-6-3-16(2)28-11-19)31-25-20-10-18(4-7-21(20)29-14-30-25)32-26-33-22-12-27-13-24(22)35-26;1-16-11-18(7-10-23(16)34-20-8-5-17(2)27-13-20)30-24-21-12-19(6-9-22(21)28-15-29-24)31-25-32-26(3,4)14-33-25/h4-9,14-16,18H,10-13,17H2,1-3H3,(H,35,36)(H,32,33,34);4-12,15,24,26H,13-14H2,1-3H3,(H,33,34)(H,30,31,32);3-8,13-15,17,29H,9-12,16H2,1-2H3,(H,34,35)(H,31,32,33);1-7,10,13-14,17,29H,8-9,11-12,15-16H2,(H,31,35)(H,32,33,34);3-11,14,22,24,27H,12-13H2,1-2H3,(H,32,33)(H,29,30,31);5-13,15H,14H2,1-4H3,(H,31,32)(H,28,29,30)
InChIKeyJYQWVJMAUPQIFJ-UHFFFAOYSA-N
XLogP30.02
TPSA638.01 Ų
H-Bond Donors15
H-Bond Acceptors53
Rotatable Bonds31
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002980.85
LogP ≤ 530.02
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1053

Analyze 6-N-(4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine;6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11548900, Example 121
CID 139474122
US11548900, Example 104
CID 139474124
US11548900, Example 116
CID 139474136
US11548900, Example 123
CID 139474192
US11548900, Example 112
CID 139474333
US11548900, Example 108
CID 155755985
N4-[3-Chloro-4-(pyridin-2-ylmethoxy)-phenyl]-N6-(4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]oxazol-2-yl)-quinazoline-4,6-diamine
CID 11504069
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-[(1-methyl-3-oxa-1,8-diazaspiro[4.5]decan-2-ylidene)amino]quinazolin-4-amine
CID 57590568
Tert-butyl 4-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-2-oxoethylidene]piperidine-1-carboxylate
CID 59382718
2-{4-[3-Chloro-4-(pyridin-2-ylmethoxy)-phenylamino]-quinazolin-6-ylamino}-3a,4,6,6a-tetrahydro-pyrrolo[3,4-d]oxazole-5-carboxylic acid tert-butyl ester
CID 59835165
2-[[4-[3-Chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carbaldehyde
CID 59835167
2-{4-[3-Chloro-4-(pyridin-2-ylmethoxy)-phenylamino]-quinazolin-6-ylamino}-1-oxa-3,8-diaza-spiro[4.5]dec-2-ene-8-carboxylic acid tert-butyl ester
CID 67426196

Frequently Asked Questions

What is the IUPAC name of 6-N-(4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine;6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine?
The IUPAC name of 6-N-(4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine;6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine (CID 159062652) is 6-N-(4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine;6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine.
What is the SMILES notation for 6-N-(4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine;6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine?
The canonical SMILES for 6-N-(4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine;6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine is CC(=O)N1CC2N=C(Nc3ccc4ncnc(Nc5ccc(Oc6ccc(C)nc6)c(C)c5)c4c3)OC2C1.CC(=O)N1CCC2(CC1)COC(Nc1ccc3ncnc(Nc4ccc(Oc5ccc(C)nc5)c(C)c4)c3c1)=N2.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NC(C)(C)CO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NC6(CCNCC6)CO5)cc34)cc2C)cn1.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(NC5=NC6CNCC6O5)cc34)cc2C)cn1.Clc1cc(Nc2ncnc3ccc(NC4=NCC5(CCNCC5)O4)cc23)ccc1OCc1ccccn1.
What is the InChIKey of 6-N-(4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine;6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine?
The InChIKey is JYQWVJMAUPQIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O3.C28H27N7O3.C28H29N7O2.C27H26ClN7O2.C26H25N7O2.C26H26N6O2/c1-19-14-22(6-9-27(19)40-24-7-4-20(2)31-16-24)34-28-25-15-23(5-8-26(25)32-18-33-28)35-29-36-30(17-39-29)10-12-37(13-11-30)21(3)38;1-16-10-19(6-9-25(16)37-21-7-4-17(2)29-12-21)32-27-22-11-20(5-8-23(22)30-15-31-27)33-28-34-24-13-35(18(3)36)14-26(24)38-28;1-18-13-20(5-8-25(18)37-22-6-3-19(2)30-15-22)33-26-23-14-21(4-7-24(23)31-17-32-26)34-27-35-28(16-36-27)9-11-29-12-10-28;28-22-14-19(5-7-24(22)36-15-20-3-1-2-10-30-20)34-25-21-13-18(4-6-23(21)32-17-33-25)35-26-31-16-27(37-26)8-11-29-12-9-27;1-15-9-17(5-8-23(15)34-19-6-3-16(2)28-11-19)31-25-20-10-18(4-7-21(20)29-14-30-25)32-26-33-22-12-27-13-24(22)35-26;1-16-11-18(7-10-23(16)34-20-8-5-17(2)27-13-20)30-24-21-12-19(6-9-22(21)28-15-29-24)31-25-32-26(3,4)14-33-25/h4-9,14-16,18H,10-13,17H2,1-3H3,(H,35,36)(H,32,33,34);4-12,15,24,26H,13-14H2,1-3H3,(H,33,34)(H,30,31,32);3-8,13-15,17,29H,9-12,16H2,1-2H3,(H,34,35)(H,31,32,33);1-7,10,13-14,17,29H,8-9,11-12,15-16H2,(H,31,35)(H,32,33,34);3-11,14,22,24,27H,12-13H2,1-2H3,(H,32,33)(H,29,30,31);5-13,15H,14H2,1-4H3,(H,31,32)(H,28,29,30).
What are the key properties of 6-N-(4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine;6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine?
6-N-(4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine;6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine has a molecular weight of 2980.85 g/mol, XLogP of 30.02, 31 rotatable bonds, 15 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;4-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-N-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-yl)quinazoline-4,6-diamine;6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]amino]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone;4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-N-(3-oxa-1,8-diazaspiro[4.5]dec-1-en-2-yl)quinazoline-4,6-diamine is sourced from PubChem (CID 159062652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).