N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-oxobutanamide;1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]-2-cyclopropylethanone;methane

C111H108ClF6N15O17 — CID 159784783

IUPACN-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-oxobutanamide;1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]-2-cyclopropylethanone;methane
SMILESC.CCC(=O)C(=O)Nc1ccc(Nc2ccnc3cc(OCC4(N)CC4)c(OC)cc23)c(F)c1.COc1cc2c(Nc3ccc(NC(=O)C(=O)Cc4cc(C)on4)cc3F)ccnc2cc1OCC1(N)CC1.COc1cc2c(Nc3ccc(NC(=O)C(=O)Cc4ccc(Cl)c(C(F)(F)F)c4)cc3F)ccnc2cc1OCC1(N)CC1.COc1cc2c(Oc3ccc4c(C(=O)CC5CC5)cccc4c3)ccnc2cc1OCC1(N)CC1
InChIInChI=1S/C30H25ClF4N4O4.C29H28N2O4.C27H26FN5O5.C24H25FN4O4.CH4/c1-42-26-13-18-22(6-9-37-24(18)14-27(26)43-15-29(36)7-8-29)39-23-5-3-17(12-21(23)32)38-28(41)25(40)11-16-2-4-20(31)19(10-16)30(33,34)35;1-33-27-15-23-24(16-28(27)34-17-29(30)10-11-29)31-12-9-26(23)35-20-7-8-21-19(14-20)3-2-4-22(21)25(32)13-18-5-6-18;1-15-9-17(33-38-15)11-23(34)26(35)31-16-3-4-21(19(28)10-16)32-20-5-8-30-22-13-25(24(36-2)12-18(20)22)37-14-27(29)6-7-27;1-3-20(30)23(31)28-14-4-5-18(16(25)10-14)29-17-6-9-27-19-12-22(21(32-2)11-15(17)19)33-13-24(26)7-8-24;/h2-6,9-10,12-14H,7-8,11,15,36H2,1H3,(H,37,39)(H,38,41);2-4,7-9,12,14-16,18H,5-6,10-11,13,17,30H2,1H3;3-5,8-10,12-13H,6-7,11,14,29H2,1-2H3,(H,30,32)(H,31,35);4-6,9-12H,3,7-8,13,26H2,1-2H3,(H,27,29)(H,28,31);1H4
InChIKeyNHUSYXNPHZQZFX-UHFFFAOYSA-N
MW2073.61 g/mol
LogP21.05
Rot. Bonds38

About N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-oxobutanamide;1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]-2-cyclopropylethanone;methane

N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-oxobutanamide;1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]-2-cyclopropylethanone;methane (PubChem CID 159784783) has the molecular formula C111H108ClF6N15O17 and a molecular weight of 2073.61 g/mol. Its IUPAC name is N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-oxobutanamide;1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]-2-cyclopropylethanone;methane.

Molecular Properties

Compound NameN-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-oxobutanamide;1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]-2-cyclopropylethanone;methane
PubChem CID159784783
Molecular FormulaC111H108ClF6N15O17
Molecular Weight2073.61 g/mol
Exact Mass2071.76
IUPAC NameN-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-oxobutanamide;1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]-2-cyclopropylethanone;methane
SMILESC.CCC(=O)C(=O)Nc1ccc(Nc2ccnc3cc(OCC4(N)CC4)c(OC)cc23)c(F)c1.COc1cc2c(Nc3ccc(NC(=O)C(=O)Cc4cc(C)on4)cc3F)ccnc2cc1OCC1(N)CC1.COc1cc2c(Nc3ccc(NC(=O)C(=O)Cc4ccc(Cl)c(C(F)(F)F)c4)cc3F)ccnc2cc1OCC1(N)CC1.COc1cc2c(Oc3ccc4c(C(=O)CC5CC5)cccc4c3)ccnc2cc1OCC1(N)CC1
InChIInChI=1S/C30H25ClF4N4O4.C29H28N2O4.C27H26FN5O5.C24H25FN4O4.CH4/c1-42-26-13-18-22(6-9-37-24(18)14-27(26)43-15-29(36)7-8-29)39-23-5-3-17(12-21(23)32)38-28(41)25(40)11-16-2-4-20(31)19(10-16)30(33,34)35;1-33-27-15-23-24(16-28(27)34-17-29(30)10-11-29)31-12-9-26(23)35-20-7-8-21-19(14-20)3-2-4-22(21)25(32)13-18-5-6-18;1-15-9-17(33-38-15)11-23(34)26(35)31-16-3-4-21(19(28)10-16)32-20-5-8-30-22-13-25(24(36-2)12-18(20)22)37-14-27(29)6-7-27;1-3-20(30)23(31)28-14-4-5-18(16(25)10-14)29-17-6-9-27-19-12-22(21(32-2)11-15(17)19)33-13-24(26)7-8-24;/h2-6,9-10,12-14H,7-8,11,15,36H2,1H3,(H,37,39)(H,38,41);2-4,7-9,12,14-16,18H,5-6,10-11,13,17,30H2,1H3;3-5,8-10,12-13H,6-7,11,14,29H2,1-2H3,(H,30,32)(H,31,35);4-6,9-12H,3,7-8,13,26H2,1-2H3,(H,27,29)(H,28,31);1H4
InChIKeyNHUSYXNPHZQZFX-UHFFFAOYSA-N
XLogP21.05
TPSA456.41 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds38
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002073.61
LogP ≤ 521.05
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-oxobutanamide;1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]-2-cyclopropylethanone;methane 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
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]oxy-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide;N-[2-chloro-4-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 157859445
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
N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-oxobutanamide
CID 159614153
1-[6-[7-[(1-Aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]-2-[4-chloro-3-(trifluoromethyl)phenyl]ethanone;1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone;2-[4-chloro-3-(trifluoromethyl)phenyl]-1-[6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]ethanone;1-[6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 160059279
N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-oxobutanamide
CID 160299204
N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-oxobutanamide
CID 160543688
N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-oxobutanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide
CID 160688997
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
1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]-2-[4-chloro-3-(trifluoromethyl)phenyl]ethanone;N-[4-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;2-[4-chloro-3-(trifluoromethyl)phenyl]-1-[6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]ethanone;1-[6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 161303198

Frequently Asked Questions

What is the IUPAC name of N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-oxobutanamide;1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]-2-cyclopropylethanone;methane?
The IUPAC name of N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-oxobutanamide;1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]-2-cyclopropylethanone;methane (CID 159784783) is N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-oxobutanamide;1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]-2-cyclopropylethanone;methane.
What is the SMILES notation for N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-oxobutanamide;1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]-2-cyclopropylethanone;methane?
The canonical SMILES for N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-oxobutanamide;1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]-2-cyclopropylethanone;methane is C.CCC(=O)C(=O)Nc1ccc(Nc2ccnc3cc(OCC4(N)CC4)c(OC)cc23)c(F)c1.COc1cc2c(Nc3ccc(NC(=O)C(=O)Cc4cc(C)on4)cc3F)ccnc2cc1OCC1(N)CC1.COc1cc2c(Nc3ccc(NC(=O)C(=O)Cc4ccc(Cl)c(C(F)(F)F)c4)cc3F)ccnc2cc1OCC1(N)CC1.COc1cc2c(Oc3ccc4c(C(=O)CC5CC5)cccc4c3)ccnc2cc1OCC1(N)CC1.
What is the InChIKey of N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-oxobutanamide;1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]-2-cyclopropylethanone;methane?
The InChIKey is NHUSYXNPHZQZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClF4N4O4.C29H28N2O4.C27H26FN5O5.C24H25FN4O4.CH4/c1-42-26-13-18-22(6-9-37-24(18)14-27(26)43-15-29(36)7-8-29)39-23-5-3-17(12-21(23)32)38-28(41)25(40)11-16-2-4-20(31)19(10-16)30(33,34)35;1-33-27-15-23-24(16-28(27)34-17-29(30)10-11-29)31-12-9-26(23)35-20-7-8-21-19(14-20)3-2-4-22(21)25(32)13-18-5-6-18;1-15-9-17(33-38-15)11-23(34)26(35)31-16-3-4-21(19(28)10-16)32-20-5-8-30-22-13-25(24(36-2)12-18(20)22)37-14-27(29)6-7-27;1-3-20(30)23(31)28-14-4-5-18(16(25)10-14)29-17-6-9-27-19-12-22(21(32-2)11-15(17)19)33-13-24(26)7-8-24;/h2-6,9-10,12-14H,7-8,11,15,36H2,1H3,(H,37,39)(H,38,41);2-4,7-9,12,14-16,18H,5-6,10-11,13,17,30H2,1H3;3-5,8-10,12-13H,6-7,11,14,29H2,1-2H3,(H,30,32)(H,31,35);4-6,9-12H,3,7-8,13,26H2,1-2H3,(H,27,29)(H,28,31);1H4.
What are the key properties of N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-oxobutanamide;1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]-2-cyclopropylethanone;methane?
N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-oxobutanamide;1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]-2-cyclopropylethanone;methane has a molecular weight of 2073.61 g/mol, XLogP of 21.05, 38 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)-2-oxopropanamide;N-[4-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-3-fluorophenyl]-2-oxobutanamide;1-[6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]-2-cyclopropylethanone;methane is sourced from PubChem (CID 159784783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).