1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[2-chloro-4-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

C108H103Cl4F7N22O14 — CID 158672340

IUPAC1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[2-chloro-4-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCOc1cc2c(Nc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)ccnc2cc1OCC1(N(C)C)CC1.COc1cc2c(Nc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)ccnc2cc1OCC1(N)CC1.COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)ccnc2cc1OCC1(N)CC1.COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3F)ccnc2cc1OCC1(N)CC1
InChIInChI=1S/C28H24ClF4N5O3.C28H25ClF3N5O3.C27H29ClN6O4.C25H25ClN6O4/c1-40-24-12-17-21(6-9-35-23(17)13-25(24)41-14-27(34)7-8-27)38-22-5-3-16(11-20(22)30)37-26(39)36-15-2-4-19(29)18(10-15)28(31,32)33;1-39-24-13-19-22(8-11-34-23(19)14-25(24)40-15-27(33)9-10-27)35-16-2-4-17(5-3-16)36-26(38)37-18-6-7-21(29)20(12-18)28(30,31)32;1-16-11-25(33-38-16)32-26(35)31-21-6-5-17(12-19(21)28)30-20-7-10-29-22-14-24(23(36-4)13-18(20)22)37-15-27(8-9-27)34(2)3;1-14-9-23(32-36-14)31-24(33)30-19-4-3-15(10-17(19)26)29-18-5-8-28-20-12-22(21(34-2)11-16(18)20)35-13-25(27)6-7-25/h2-6,9-13H,7-8,14,34H2,1H3,(H,35,38)(H2,36,37,39);2-8,11-14H,9-10,15,33H2,1H3,(H,34,35)(H2,36,37,38);5-7,10-14H,8-9,15H2,1-4H3,(H,29,30)(H2,31,32,33,35);3-5,8-12H,6-7,13,27H2,1-2H3,(H,28,29)(H2,30,31,32,33)
InChIKeyIECGMFOTZHYZNK-UHFFFAOYSA-N
MW2207.95 g/mol
LogP25.99
Rot. Bonds33

About 1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[2-chloro-4-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[2-chloro-4-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 158672340) has the molecular formula C108H103Cl4F7N22O14 and a molecular weight of 2207.95 g/mol. Its IUPAC name is 1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[2-chloro-4-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[2-chloro-4-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID158672340
Molecular FormulaC108H103Cl4F7N22O14
Molecular Weight2207.95 g/mol
Exact Mass2204.67
IUPAC Name1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[2-chloro-4-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCOc1cc2c(Nc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)ccnc2cc1OCC1(N(C)C)CC1.COc1cc2c(Nc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)ccnc2cc1OCC1(N)CC1.COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)ccnc2cc1OCC1(N)CC1.COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3F)ccnc2cc1OCC1(N)CC1
InChIInChI=1S/C28H24ClF4N5O3.C28H25ClF3N5O3.C27H29ClN6O4.C25H25ClN6O4/c1-40-24-12-17-21(6-9-35-23(17)13-25(24)41-14-27(34)7-8-27)38-22-5-3-16(11-20(22)30)37-26(39)36-15-2-4-19(29)18(10-15)28(31,32)33;1-39-24-13-19-22(8-11-34-23(19)14-25(24)40-15-27(33)9-10-27)35-16-2-4-17(5-3-16)36-26(38)37-18-6-7-21(29)20(12-18)28(30,31)32;1-16-11-25(33-38-16)32-26(35)31-21-6-5-17(12-19(21)28)30-20-7-10-29-22-14-24(23(36-4)13-18(20)22)37-15-27(8-9-27)34(2)3;1-14-9-23(32-36-14)31-24(33)30-19-4-3-15(10-17(19)26)29-18-5-8-28-20-12-22(21(34-2)11-16(18)20)35-13-25(27)6-7-25/h2-6,9-13H,7-8,14,34H2,1H3,(H,35,38)(H2,36,37,39);2-8,11-14H,9-10,15,33H2,1H3,(H,34,35)(H2,36,37,38);5-7,10-14H,8-9,15H2,1-4H3,(H,29,30)(H2,31,32,33,35);3-5,8-12H,6-7,13,27H2,1-2H3,(H,28,29)(H2,30,31,32,33)
InChIKeyIECGMFOTZHYZNK-UHFFFAOYSA-N
XLogP25.99
TPSA471.40 Ų
H-Bond Donors15
H-Bond Acceptors28
Rotatable Bonds33
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002207.95
LogP ≤ 525.99
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1028

Analyze 1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[2-chloro-4-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea with MolForge

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Related Compounds

N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-2-chlorophenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[2-chloro-4-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 157637645
6-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide;6-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]naphthalene-1-carboxamide;6-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide
CID 158101315
N'-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-N-methyloxamide;N'-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 158138957
1-[4-[7-[(1-Aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[2-chloro-4-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 159796270
N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-2-chlorophenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;N-[2-chloro-4-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 160903492
6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-N-[4-chloro-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide;6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide;6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide
CID 161122587
N'-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide;N'-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-N-methyloxamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 161196734
6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide;6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-N-[4-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalene-1-carboxamide;6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide
CID 161711090
N'-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide;N'-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-methyloxamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 162003069
1-[4-[[7-[(1-Aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 25031733
1-[2-Chloro-4-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 25031823
CID 168319591
CID 168319591

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[2-chloro-4-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[2-chloro-4-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 158672340) is 1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[2-chloro-4-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[2-chloro-4-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[2-chloro-4-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is COc1cc2c(Nc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)ccnc2cc1OCC1(N(C)C)CC1.COc1cc2c(Nc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)ccnc2cc1OCC1(N)CC1.COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)ccnc2cc1OCC1(N)CC1.COc1cc2c(Nc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3F)ccnc2cc1OCC1(N)CC1.
What is the InChIKey of 1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[2-chloro-4-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is IECGMFOTZHYZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClF4N5O3.C28H25ClF3N5O3.C27H29ClN6O4.C25H25ClN6O4/c1-40-24-12-17-21(6-9-35-23(17)13-25(24)41-14-27(34)7-8-27)38-22-5-3-16(11-20(22)30)37-26(39)36-15-2-4-19(29)18(10-15)28(31,32)33;1-39-24-13-19-22(8-11-34-23(19)14-25(24)40-15-27(33)9-10-27)35-16-2-4-17(5-3-16)36-26(38)37-18-6-7-21(29)20(12-18)28(30,31)32;1-16-11-25(33-38-16)32-26(35)31-21-6-5-17(12-19(21)28)30-20-7-10-29-22-14-24(23(36-4)13-18(20)22)37-15-27(8-9-27)34(2)3;1-14-9-23(32-36-14)31-24(33)30-19-4-3-15(10-17(19)26)29-18-5-8-28-20-12-22(21(34-2)11-16(18)20)35-13-25(27)6-7-25/h2-6,9-13H,7-8,14,34H2,1H3,(H,35,38)(H2,36,37,39);2-8,11-14H,9-10,15,33H2,1H3,(H,34,35)(H2,36,37,38);5-7,10-14H,8-9,15H2,1-4H3,(H,29,30)(H2,31,32,33,35);3-5,8-12H,6-7,13,27H2,1-2H3,(H,28,29)(H2,30,31,32,33).
What are the key properties of 1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[2-chloro-4-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[2-chloro-4-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 2207.95 g/mol, XLogP of 25.99, 33 rotatable bonds, 15 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[2-chloro-4-[[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]amino]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 158672340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).