1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

C45H37Cl2F3N6O8 — CID 161122454

IUPAC1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.COc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C)on4)c(Cl)c3)c2cc1OC
InChIInChI=1S/C24H21ClN2O5.C21H16ClF3N4O3/c1-14-8-16(27-32-14)10-17(28)9-15-4-5-18(11-20(15)25)31-22-6-7-26-21-13-24(30-3)23(29-2)12-19(21)22;1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h4-8,11-13H,9-10H2,1-3H3;2-11H,1H3,(H,26,30)(H2,28,29,31)
InChIKeyULCXVDVQYMOAPE-UHFFFAOYSA-N
MW917.72 g/mol
LogP10.90
Rot. Bonds13

About 1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 161122454) has the molecular formula C45H37Cl2F3N6O8 and a molecular weight of 917.72 g/mol. Its IUPAC name is 1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID161122454
Molecular FormulaC45H37Cl2F3N6O8
Molecular Weight917.72 g/mol
Exact Mass916.20
IUPAC Name1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.COc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C)on4)c(Cl)c3)c2cc1OC
InChIInChI=1S/C24H21ClN2O5.C21H16ClF3N4O3/c1-14-8-16(27-32-14)10-17(28)9-15-4-5-18(11-20(15)25)31-22-6-7-26-21-13-24(30-3)23(29-2)12-19(21)22;1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h4-8,11-13H,9-10H2,1-3H3;2-11H,1H3,(H,26,30)(H2,28,29,31)
InChIKeyULCXVDVQYMOAPE-UHFFFAOYSA-N
XLogP10.90
TPSA176.03 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500917.72
LogP ≤ 510.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

5-(4-fluorophenyl)-N-[4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-1,2-oxazole-3-carboxamide
CID 162677350
3-tert-butyl-N-[1-[4-[[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]-2-(trifluoromethyl)phenyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 126738181
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
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
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
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 162035463
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2-oxoacetamide
CID 175059614
1-[2-Chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one
CID 58101999
2-Chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 158441845
2-chloro-5-nitropyridine;6,7-dimethoxy-4-[(5-nitro-2-pyridinyl)oxy]quinoline;6,7-dimethoxy-1H-quinolin-4-one
CID 159344383
2-Chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 161957460

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (CID 161122454) is 1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.COc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C)on4)c(Cl)c3)c2cc1OC.
What is the InChIKey of 1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is ULCXVDVQYMOAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O5.C21H16ClF3N4O3/c1-14-8-16(27-32-14)10-17(28)9-15-4-5-18(11-20(15)25)31-22-6-7-26-21-13-24(30-3)23(29-2)12-19(21)22;1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h4-8,11-13H,9-10H2,1-3H3;2-11H,1H3,(H,26,30)(H2,28,29,31).
What are the key properties of 1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 917.72 g/mol, XLogP of 10.90, 13 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 161122454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).