1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one

C167H171Cl5F4N12O29 — CID 157329199

IUPAC1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one
SMILESCOc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)c(Cl)c3)ccnc2cc1OCCCN1CCC2(CC1)COC2.COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)c(Cl)c3)ccnc2cc1OCCCOC1COC1.COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)c(Cl)c3)ncnc2cc1OCCCN1CCC2(CC1)COC2.COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)c(Cl)c3)ncnc2cc1OCCCOC1COC1.COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)on4)c(Cl)c3)ncnc2cc1OCCCC(=O)N1CCC2(CC1)COC2
InChIInChI=1S/C36H38ClFN2O5.C35H37ClFN3O5.C33H35ClN4O7.C32H31ClFNO6.C31H30ClFN2O6/c1-24-4-7-31(38)26(16-24)18-27(41)17-25-5-6-28(19-30(25)37)45-33-8-11-39-32-21-35(34(42-2)20-29(32)33)44-15-3-12-40-13-9-36(10-14-40)22-43-23-36;1-23-4-7-30(37)25(14-23)16-26(41)15-24-5-6-27(17-29(24)36)45-34-28-18-32(42-2)33(19-31(28)38-22-39-34)44-13-3-10-40-11-8-35(9-12-40)20-43-21-35;1-21-12-23(37-45-21)14-24(39)13-22-5-6-25(15-27(22)34)44-32-26-16-29(41-2)30(17-28(26)35-20-36-32)43-11-3-4-31(40)38-9-7-33(8-10-38)18-42-19-33;1-20-4-7-28(34)22(12-20)14-23(36)13-21-5-6-24(15-27(21)33)41-30-8-9-35-29-17-32(31(37-2)16-26(29)30)40-11-3-10-39-25-18-38-19-25;1-19-4-7-27(33)21(10-19)12-22(36)11-20-5-6-23(13-26(20)32)41-31-25-14-29(37-2)30(15-28(25)34-18-35-31)40-9-3-8-39-24-16-38-17-24/h4-8,11,16,19-21H,3,9-10,12-15,17-18,22-23H2,1-2H3;4-7,14,17-19,22H,3,8-13,15-16,20-21H2,1-2H3;5-6,12,15-17,20H,3-4,7-11,13-14,18-19H2,1-2H3;4-9,12,15-17,25H,3,10-11,13-14,18-19H2,1-2H3;4-7,10,13-15,18,24H,3,8-9,11-12,16-17H2,1-2H3
InChIKeyBFBZGPWYSOWGAD-UHFFFAOYSA-N
MW3063.52 g/mol
LogP32.42
Rot. Bonds62

About 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one

1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one (PubChem CID 157329199) has the molecular formula C167H171Cl5F4N12O29 and a molecular weight of 3063.52 g/mol. Its IUPAC name is 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one.

Molecular Properties

Compound Name1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one
PubChem CID157329199
Molecular FormulaC167H171Cl5F4N12O29
Molecular Weight3063.52 g/mol
Exact Mass3059.07
IUPAC Name1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one
SMILESCOc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)c(Cl)c3)ccnc2cc1OCCCN1CCC2(CC1)COC2.COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)c(Cl)c3)ccnc2cc1OCCCOC1COC1.COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)c(Cl)c3)ncnc2cc1OCCCN1CCC2(CC1)COC2.COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)c(Cl)c3)ncnc2cc1OCCCOC1COC1.COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)on4)c(Cl)c3)ncnc2cc1OCCCC(=O)N1CCC2(CC1)COC2
InChIInChI=1S/C36H38ClFN2O5.C35H37ClFN3O5.C33H35ClN4O7.C32H31ClFNO6.C31H30ClFN2O6/c1-24-4-7-31(38)26(16-24)18-27(41)17-25-5-6-28(19-30(25)37)45-33-8-11-39-32-21-35(34(42-2)20-29(32)33)44-15-3-12-40-13-9-36(10-14-40)22-43-23-36;1-23-4-7-30(37)25(14-23)16-26(41)15-24-5-6-27(17-29(24)36)45-34-28-18-32(42-2)33(19-31(28)38-22-39-34)44-13-3-10-40-11-8-35(9-12-40)20-43-21-35;1-21-12-23(37-45-21)14-24(39)13-22-5-6-25(15-27(22)34)44-32-26-16-29(41-2)30(17-28(26)35-20-36-32)43-11-3-4-31(40)38-9-7-33(8-10-38)18-42-19-33;1-20-4-7-28(34)22(12-20)14-23(36)13-21-5-6-24(15-27(21)33)41-30-8-9-35-29-17-32(31(37-2)16-26(29)30)40-11-3-10-39-25-18-38-19-25;1-19-4-7-27(33)21(10-19)12-22(36)11-20-5-6-23(13-26(20)32)41-31-25-14-29(37-2)30(15-28(25)34-18-35-31)40-9-3-8-39-24-16-38-17-24/h4-8,11,16,19-21H,3,9-10,12-15,17-18,22-23H2,1-2H3;4-7,14,17-19,22H,3,8-13,15-16,20-21H2,1-2H3;5-6,12,15-17,20H,3-4,7-11,13-14,18-19H2,1-2H3;4-9,12,15-17,25H,3,10-11,13-14,18-19H2,1-2H3;4-7,10,13-15,18,24H,3,8-9,11-12,16-17H2,1-2H3
InChIKeyBFBZGPWYSOWGAD-UHFFFAOYSA-N
XLogP32.42
TPSA444.35 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds62
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003063.52
LogP ≤ 532.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-oxopropoxy]quinazolin-4-yl]oxyphenyl]-4-methylpentan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-oxopropoxy]quinolin-4-yl]oxyphenyl]-4-methylpentan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-4-methylpentan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-4-methylpentan-2-one
CID 160691379
1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;4-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-6-methylquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one
CID 161362284
1-[2-chloro-4-[6-methoxy-7-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutoxy]quinazolin-4-yl]oxyphenyl]hexan-2-one
CID 158176364
1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]hexan-2-one
CID 157253214
1-[2-chloro-4-[6-methoxy-7-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-4-oxobutoxy]quinazolin-4-yl]oxyphenyl]-4-methylpentan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(4-chloro-3-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methyl-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-thiophen-3-ylpropan-2-one;methane
CID 160693201
4-[6-methoxy-4-[(2-methyl-1H-inden-5-yl)oxy]quinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one
CID 157082429
N-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]formamide
CID 167112882
4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one;3-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one;4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)butan-1-one;4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)butan-1-one;3-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-one;4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)butan-1-one
CID 159241461
4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one
CID 85469418
1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-propylurea
CID 78318786
4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)butan-1-one
CID 85469266
4-[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)butan-1-one
CID 157082427

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one?
The IUPAC name of 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one (CID 157329199) is 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one.
What is the SMILES notation for 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one?
The canonical SMILES for 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one is COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)c(Cl)c3)ccnc2cc1OCCCN1CCC2(CC1)COC2.COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)c(Cl)c3)ccnc2cc1OCCCOC1COC1.COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)c(Cl)c3)ncnc2cc1OCCCN1CCC2(CC1)COC2.COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)c(Cl)c3)ncnc2cc1OCCCOC1COC1.COc1cc2c(Oc3ccc(CC(=O)Cc4cc(C)on4)c(Cl)c3)ncnc2cc1OCCCC(=O)N1CCC2(CC1)COC2.
What is the InChIKey of 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one?
The InChIKey is BFBZGPWYSOWGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38ClFN2O5.C35H37ClFN3O5.C33H35ClN4O7.C32H31ClFNO6.C31H30ClFN2O6/c1-24-4-7-31(38)26(16-24)18-27(41)17-25-5-6-28(19-30(25)37)45-33-8-11-39-32-21-35(34(42-2)20-29(32)33)44-15-3-12-40-13-9-36(10-14-40)22-43-23-36;1-23-4-7-30(37)25(14-23)16-26(41)15-24-5-6-27(17-29(24)36)45-34-28-18-32(42-2)33(19-31(28)38-22-39-34)44-13-3-10-40-11-8-35(9-12-40)20-43-21-35;1-21-12-23(37-45-21)14-24(39)13-22-5-6-25(15-27(22)34)44-32-26-16-29(41-2)30(17-28(26)35-20-36-32)43-11-3-4-31(40)38-9-7-33(8-10-38)18-42-19-33;1-20-4-7-28(34)22(12-20)14-23(36)13-21-5-6-24(15-27(21)33)41-30-8-9-35-29-17-32(31(37-2)16-26(29)30)40-11-3-10-39-25-18-38-19-25;1-19-4-7-27(33)21(10-19)12-22(36)11-20-5-6-23(13-26(20)32)41-31-25-14-29(37-2)30(15-28(25)34-18-35-31)40-9-3-8-39-24-16-38-17-24/h4-8,11,16,19-21H,3,9-10,12-15,17-18,22-23H2,1-2H3;4-7,14,17-19,22H,3,8-13,15-16,20-21H2,1-2H3;5-6,12,15-17,20H,3-4,7-11,13-14,18-19H2,1-2H3;4-9,12,15-17,25H,3,10-11,13-14,18-19H2,1-2H3;4-7,10,13-15,18,24H,3,8-9,11-12,16-17H2,1-2H3.
What are the key properties of 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one?
1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one has a molecular weight of 3063.52 g/mol, XLogP of 32.42, 62 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinazolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;1-[2-chloro-4-[6-methoxy-7-[3-(oxetan-3-yloxy)propoxy]quinolin-4-yl]oxyphenyl]-3-(2-fluoro-5-methylphenyl)propan-2-one;4-[4-[3-chloro-4-[3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropyl]phenoxy]-6-methoxyquinazolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one is sourced from PubChem (CID 157329199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).