4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde

C51H41Cl3F5N9O10 — CID 159035346

IUPAC4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde
SMILESCOc1cc2nccc(Cl)c2cc1C(N)=O.COc1cc2nccc(Oc3cc(Cl)c(N)cc3F)c2cc1C(N)=O.COc1cc2nccc(Oc3cc(Cl)c(NC(=O)NC4CC4)cc3F)c2cc1C(N)=O.O=CC(F)(F)F
InChIInChI=1S/C21H18ClFN4O4.C17H13ClFN3O3.C11H9ClN2O2.C2HF3O/c1-30-18-9-15-11(6-12(18)20(24)28)17(4-5-25-15)31-19-7-13(22)16(8-14(19)23)27-21(29)26-10-2-3-10;1-24-15-7-13-8(4-9(15)17(21)23)14(2-3-22-13)25-16-5-10(18)12(20)6-11(16)19;1-16-10-5-9-6(4-7(10)11(13)15)8(12)2-3-14-9;3-2(4,5)1-6/h4-10H,2-3H2,1H3,(H2,24,28)(H2,26,27,29);2-7H,20H2,1H3,(H2,21,23);2-5H,1H3,(H2,13,15);1H
InChIKeyJVJSQCMKQUVKBY-UHFFFAOYSA-N
MW1141.29 g/mol
LogP10.46
Rot. Bonds12

About 4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde

4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde (PubChem CID 159035346) has the molecular formula C51H41Cl3F5N9O10 and a molecular weight of 1141.29 g/mol. Its IUPAC name is 4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Name4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde
PubChem CID159035346
Molecular FormulaC51H41Cl3F5N9O10
Molecular Weight1141.29 g/mol
Exact Mass1139.20
IUPAC Name4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde
SMILESCOc1cc2nccc(Cl)c2cc1C(N)=O.COc1cc2nccc(Oc3cc(Cl)c(N)cc3F)c2cc1C(N)=O.COc1cc2nccc(Oc3cc(Cl)c(NC(=O)NC4CC4)cc3F)c2cc1C(N)=O.O=CC(F)(F)F
InChIInChI=1S/C21H18ClFN4O4.C17H13ClFN3O3.C11H9ClN2O2.C2HF3O/c1-30-18-9-15-11(6-12(18)20(24)28)17(4-5-25-15)31-19-7-13(22)16(8-14(19)23)27-21(29)26-10-2-3-10;1-24-15-7-13-8(4-9(15)17(21)23)14(2-3-22-13)25-16-5-10(18)12(20)6-11(16)19;1-16-10-5-9-6(4-7(10)11(13)15)8(12)2-3-14-9;3-2(4,5)1-6/h4-10H,2-3H2,1H3,(H2,24,28)(H2,26,27,29);2-7H,20H2,1H3,(H2,21,23);2-5H,1H3,(H2,13,15);1H
InChIKeyJVJSQCMKQUVKBY-UHFFFAOYSA-N
XLogP10.46
TPSA298.31 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001141.29
LogP ≤ 510.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde with MolForge

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Related Compounds

Lenvatinib
CID 9823820
Lenvatinib Mesylate
CID 11237762
1-N'-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide
CID 134334010
(4-((6-(Aminocarbonyl)-7-methoxy-4-quinolinyl)oxy)-2-chlorophenyl)carbamic acid phenyl ester
CID 22936529
4-[3-Chloro-4-(cyclopropylcarbamothioylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide
CID 134333772
4-(3-Chloro-4-(((cyclopropylamino)carbonyl)amino)phenoxy)-7-hydroxy-6-quinolinecarboxamide
CID 135566046
CID 118753290
CID 118753290
1-[2-chloro-4-[7-methoxy-6-[1-[(E)-4,4,4-trifluorobut-2-enoyl]piperidin-4-yl]quinolin-4-yl]oxyphenyl]-3-cyclopropylurea
CID 172455778
1-[2-Chloro-4-[6-(1-prop-2-enoylpiperidin-4-yl)-7-(2,2,2-trifluoroethoxy)quinolin-4-yl]oxyphenyl]-3-cyclopropylurea
CID 172471931
4-[3-chloro-4-(cyclopropylcarbamoylamino)-2,6-difluorophenoxy]-N-(2-cyanoethyl)-7-methoxyquinoline-6-carboxamide
CID 169630400
4-[3-chloro-4-(cyclopropylcarbamoylamino)-2,6-difluorophenoxy]-N-(2,2-difluoroethyl)-7-methoxyquinoline-6-carboxamide
CID 169630784
4-[3-chloro-4-(cyclopropylcarbamoylamino)-2,6-difluorophenoxy]-7-methoxy-N-(2,2,2-trifluoroethyl)quinoline-6-carboxamide
CID 169630786

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde?
The IUPAC name of 4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde (CID 159035346) is 4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for 4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for 4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde is COc1cc2nccc(Cl)c2cc1C(N)=O.COc1cc2nccc(Oc3cc(Cl)c(N)cc3F)c2cc1C(N)=O.COc1cc2nccc(Oc3cc(Cl)c(NC(=O)NC4CC4)cc3F)c2cc1C(N)=O.O=CC(F)(F)F.
What is the InChIKey of 4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde?
The InChIKey is JVJSQCMKQUVKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN4O4.C17H13ClFN3O3.C11H9ClN2O2.C2HF3O/c1-30-18-9-15-11(6-12(18)20(24)28)17(4-5-25-15)31-19-7-13(22)16(8-14(19)23)27-21(29)26-10-2-3-10;1-24-15-7-13-8(4-9(15)17(21)23)14(2-3-22-13)25-16-5-10(18)12(20)6-11(16)19;1-16-10-5-9-6(4-7(10)11(13)15)8(12)2-3-14-9;3-2(4,5)1-6/h4-10H,2-3H2,1H3,(H2,24,28)(H2,26,27,29);2-7H,20H2,1H3,(H2,21,23);2-5H,1H3,(H2,13,15);1H.
What are the key properties of 4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde?
4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde has a molecular weight of 1141.29 g/mol, XLogP of 10.46, 12 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-5-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxamide;4-[5-chloro-4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide;4-chloro-7-methoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 159035346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).