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

C44H37Cl2F3N6O7 — CID 162035463

IUPAC4-[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
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.COc1cc2nccc(Oc3ccc(CC(=O)CC4CC4)c(Cl)c3)c2cc1C(N)=O
InChIInChI=1S/C23H21ClN2O4.C21H16ClF3N4O3/c1-29-22-12-20-17(11-18(22)23(25)28)21(6-7-26-20)30-16-5-4-14(19(24)10-16)9-15(27)8-13-2-3-13;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/h4-7,10-13H,2-3,8-9H2,1H3,(H2,25,28);2-11H,1H3,(H,26,30)(H2,28,29,31)
InChIKeyYWOWXXYAUBSKDJ-UHFFFAOYSA-N
MW889.71 g/mol
LogP10.25
Rot. Bonds13

About 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

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 (PubChem CID 162035463) has the molecular formula C44H37Cl2F3N6O7 and a molecular weight of 889.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID162035463
Molecular FormulaC44H37Cl2F3N6O7
Molecular Weight889.71 g/mol
Exact Mass888.21
IUPAC Name4-[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
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.COc1cc2nccc(Oc3ccc(CC(=O)CC4CC4)c(Cl)c3)c2cc1C(N)=O
InChIInChI=1S/C23H21ClN2O4.C21H16ClF3N4O3/c1-29-22-12-20-17(11-18(22)23(25)28)21(6-7-26-20)30-16-5-4-14(19(24)10-16)9-15(27)8-13-2-3-13;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/h4-7,10-13H,2-3,8-9H2,1H3,(H2,25,28);2-11H,1H3,(H,26,30)(H2,28,29,31)
InChIKeyYWOWXXYAUBSKDJ-UHFFFAOYSA-N
XLogP10.25
TPSA183.86 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.71
LogP ≤ 510.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.COc1cc2nccc(Oc3ccc(CC(=O)CC4CC4)c(Cl)c3)c2cc1C(N)=O.
What is the InChIKey of 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?
The InChIKey is YWOWXXYAUBSKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4.C21H16ClF3N4O3/c1-29-22-12-20-17(11-18(22)23(25)28)21(6-7-26-20)30-16-5-4-14(19(24)10-16)9-15(27)8-13-2-3-13;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/h4-7,10-13H,2-3,8-9H2,1H3,(H2,25,28);2-11H,1H3,(H,26,30)(H2,28,29,31).
What are the key properties of 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?
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 has a molecular weight of 889.71 g/mol, XLogP of 10.25, 13 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162035463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).