7-(difluoromethoxy)-6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinoline-3-carboxamide

C21H24F3N3O3 — CID 129247417

IUPAC7-(difluoromethoxy)-6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinoline-3-carboxamide
SMILESO=C(NC1CCC(N2CCOCC2)CC1)c1cnc2cc(OC(F)F)c(F)cc2c1
InChIInChI=1S/C21H24F3N3O3/c22-17-10-13-9-14(12-25-18(13)11-19(17)30-21(23)24)20(28)26-15-1-3-16(4-2-15)27-5-7-29-8-6-27/h9-12,15-16,21H,1-8H2,(H,26,28)
InChIKeyGJIAOBORCCAYGU-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.35
Rot. Bonds5

About 7-(difluoromethoxy)-6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinoline-3-carboxamide

7-(difluoromethoxy)-6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinoline-3-carboxamide (PubChem CID 129247417) has the molecular formula C21H24F3N3O3 and a molecular weight of 423.44 g/mol. Its IUPAC name is 7-(difluoromethoxy)-6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethoxy)-6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinoline-3-carboxamide
PubChem CID129247417
Molecular FormulaC21H24F3N3O3
Molecular Weight423.44 g/mol
Exact Mass423.18
IUPAC Name7-(difluoromethoxy)-6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinoline-3-carboxamide
SMILESO=C(NC1CCC(N2CCOCC2)CC1)c1cnc2cc(OC(F)F)c(F)cc2c1
InChIInChI=1S/C21H24F3N3O3/c22-17-10-13-9-14(12-25-18(13)11-19(17)30-21(23)24)20(28)26-15-1-3-16(4-2-15)27-5-7-29-8-6-27/h9-12,15-16,21H,1-8H2,(H,26,28)
InChIKeyGJIAOBORCCAYGU-UHFFFAOYSA-N
XLogP3.35
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(difluoromethoxy)-6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinoline-3-carboxamide with MolForge

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Related Compounds

N-[4-(2,2-difluoroethylamino)cyclohexyl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide
CID 129247875
N-[1-(5-cyano-1,3-oxazol-2-yl)piperidin-4-yl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide;molecular hydrogen
CID 158568245
7-(difluoromethoxy)-6-fluoro-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen
CID 159851754
7-(difluoromethoxy)-N-[3-[[(2R)-1,1-difluoropropan-2-yl]amino]cyclobutyl]-6-fluoroquinoline-3-carboxamide
CID 129247506
7-(difluoromethoxy)-6-fluoro-N-[1-(2-methylpropyl)-2-oxopyrrolidin-3-yl]quinoline-3-carboxamide
CID 129247718
4-[[6-chloro-7-(difluoromethoxy)quinoline-3-carbonyl]amino]-N,N-dimethylcyclohexan-1-amine oxide
CID 129247358
6-fluoro-N-(oxan-4-yl)quinoline-3-carboxamide
CID 166186547
6-chloro-7-(difluoromethoxy)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]quinoline-3-carboxamide
CID 129247820
N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyridine-4-carboxamide
CID 117083309
5-chloro-N-(1-cyclopropylpiperidin-4-yl)-6-propan-2-yloxypyridine-3-carboxamide
CID 47059655
7-(difluoromethoxy)-N-[4-[hydroxy(trifluoromethyl)-λ3-iodanyl]cyclohexyl]quinoline-3-carboxamide
CID 163900375
7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide
CID 129247348

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethoxy)-6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinoline-3-carboxamide?
The IUPAC name of 7-(difluoromethoxy)-6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinoline-3-carboxamide (CID 129247417) is 7-(difluoromethoxy)-6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinoline-3-carboxamide.
What is the SMILES notation for 7-(difluoromethoxy)-6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinoline-3-carboxamide?
The canonical SMILES for 7-(difluoromethoxy)-6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinoline-3-carboxamide is O=C(NC1CCC(N2CCOCC2)CC1)c1cnc2cc(OC(F)F)c(F)cc2c1.
What is the InChIKey of 7-(difluoromethoxy)-6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinoline-3-carboxamide?
The InChIKey is GJIAOBORCCAYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O3/c22-17-10-13-9-14(12-25-18(13)11-19(17)30-21(23)24)20(28)26-15-1-3-16(4-2-15)27-5-7-29-8-6-27/h9-12,15-16,21H,1-8H2,(H,26,28).
What are the key properties of 7-(difluoromethoxy)-6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinoline-3-carboxamide?
7-(difluoromethoxy)-6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinoline-3-carboxamide has a molecular weight of 423.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethoxy)-6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinoline-3-carboxamide is sourced from PubChem (CID 129247417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).