7-(difluoromethoxy)-6-fluoro-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen

C21H24F6N2O4 — CID 159851754

IUPAC7-(difluoromethoxy)-6-fluoro-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen
SMILESCC(O)(COC1CCC(NC(=O)c2cnc3cc(OC(F)F)c(F)cc3c2)CC1)C(F)(F)F.[H][H]
InChIInChI=1S/C21H22F6N2O4.H2/c1-20(31,21(25,26)27)10-32-14-4-2-13(3-5-14)29-18(30)12-6-11-7-15(22)17(33-19(23)24)8-16(11)28-9-12;/h6-9,13-14,19,31H,2-5,10H2,1H3,(H,29,30);1H
InChIKeyNQAHYMGSOXAQKH-UHFFFAOYSA-N
MW482.42 g/mol
LogP4.59
Rot. Bonds7

About 7-(difluoromethoxy)-6-fluoro-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen

7-(difluoromethoxy)-6-fluoro-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen (PubChem CID 159851754) has the molecular formula C21H24F6N2O4 and a molecular weight of 482.42 g/mol. Its IUPAC name is 7-(difluoromethoxy)-6-fluoro-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name7-(difluoromethoxy)-6-fluoro-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen
PubChem CID159851754
Molecular FormulaC21H24F6N2O4
Molecular Weight482.42 g/mol
Exact Mass482.16
IUPAC Name7-(difluoromethoxy)-6-fluoro-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen
SMILESCC(O)(COC1CCC(NC(=O)c2cnc3cc(OC(F)F)c(F)cc3c2)CC1)C(F)(F)F.[H][H]
InChIInChI=1S/C21H22F6N2O4.H2/c1-20(31,21(25,26)27)10-32-14-4-2-13(3-5-14)29-18(30)12-6-11-7-15(22)17(33-19(23)24)8-16(11)28-9-12;/h6-9,13-14,19,31H,2-5,10H2,1H3,(H,29,30);1H
InChIKeyNQAHYMGSOXAQKH-UHFFFAOYSA-N
XLogP4.59
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.42
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(difluoromethoxy)-6-fluoro-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen with MolForge

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Related Compounds

N-[4-(2,2-difluoroethylamino)cyclohexyl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide
CID 129247875
7-(difluoromethoxy)-6-fluoro-N-(4-morpholin-4-ylcyclohexyl)quinoline-3-carboxamide
CID 129247417
N-[1-(5-cyano-1,3-oxazol-2-yl)piperidin-4-yl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide;molecular hydrogen
CID 158568245
7-(difluoromethoxy)-N-[3-[[(2R)-1,1-difluoropropan-2-yl]amino]cyclobutyl]-6-fluoroquinoline-3-carboxamide
CID 129247506
7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen
CID 157197541
7-(difluoromethoxy)-6-fluoro-N-[1-(2-methylpropyl)-2-oxopyrrolidin-3-yl]quinoline-3-carboxamide
CID 129247718
7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide
CID 129247348
N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-7-methoxyquinoline-3-carboxamide
CID 129247320
4-[[6-chloro-7-(difluoromethoxy)quinoline-3-carbonyl]amino]-N,N-dimethylcyclohexan-1-amine oxide
CID 129247358
7-(difluoromethoxy)-N-[3-(2-hydroxypropan-2-yl)cyclobutyl]quinoline-3-carboxamide;molecular hydrogen
CID 158911555
6-chloro-7-(difluoromethoxy)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]quinoline-3-carboxamide
CID 129247820
7-(difluoromethoxy)-N-[4-[hydroxy(trifluoromethyl)-λ3-iodanyl]cyclohexyl]quinoline-3-carboxamide
CID 163900375

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethoxy)-6-fluoro-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen?
The IUPAC name of 7-(difluoromethoxy)-6-fluoro-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen (CID 159851754) is 7-(difluoromethoxy)-6-fluoro-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen.
What is the SMILES notation for 7-(difluoromethoxy)-6-fluoro-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen?
The canonical SMILES for 7-(difluoromethoxy)-6-fluoro-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen is CC(O)(COC1CCC(NC(=O)c2cnc3cc(OC(F)F)c(F)cc3c2)CC1)C(F)(F)F.[H][H].
What is the InChIKey of 7-(difluoromethoxy)-6-fluoro-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen?
The InChIKey is NQAHYMGSOXAQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F6N2O4.H2/c1-20(31,21(25,26)27)10-32-14-4-2-13(3-5-14)29-18(30)12-6-11-7-15(22)17(33-19(23)24)8-16(11)28-9-12;/h6-9,13-14,19,31H,2-5,10H2,1H3,(H,29,30);1H.
What are the key properties of 7-(difluoromethoxy)-6-fluoro-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen?
7-(difluoromethoxy)-6-fluoro-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen has a molecular weight of 482.42 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethoxy)-6-fluoro-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 159851754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).