7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide

C20H24F2N2O4 — CID 129247348

IUPAC7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide
SMILESCC(O)COC1CCC(NC(=O)c2cnc3cc(OC(F)F)ccc3c2)CC1
InChIInChI=1S/C20H24F2N2O4/c1-12(25)11-27-16-6-3-15(4-7-16)24-19(26)14-8-13-2-5-17(28-20(21)22)9-18(13)23-10-14/h2,5,8-10,12,15-16,20,25H,3-4,6-7,11H2,1H3,(H,24,26)
InChIKeyPUUCLSOESVOWQV-UHFFFAOYSA-N
MW394.42 g/mol
LogP3.27
Rot. Bonds7

About 7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide

7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide (PubChem CID 129247348) has the molecular formula C20H24F2N2O4 and a molecular weight of 394.42 g/mol. Its IUPAC name is 7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide
PubChem CID129247348
Molecular FormulaC20H24F2N2O4
Molecular Weight394.42 g/mol
Exact Mass394.17
IUPAC Name7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide
SMILESCC(O)COC1CCC(NC(=O)c2cnc3cc(OC(F)F)ccc3c2)CC1
InChIInChI=1S/C20H24F2N2O4/c1-12(25)11-27-16-6-3-15(4-7-16)24-19(26)14-8-13-2-5-17(28-20(21)22)9-18(13)23-10-14/h2,5,8-10,12,15-16,20,25H,3-4,6-7,11H2,1H3,(H,24,26)
InChIKeyPUUCLSOESVOWQV-UHFFFAOYSA-N
XLogP3.27
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen
CID 157197541
7-(difluoromethoxy)-N-[4-[hydroxy(trifluoromethyl)-λ3-iodanyl]cyclohexyl]quinoline-3-carboxamide
CID 163900375
N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-7-methoxyquinoline-3-carboxamide
CID 129247320
7-(difluoromethoxy)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]quinoline-3-carboxamide
CID 129276278
7-(difluoromethoxy)-N-[3-(2-hydroxypropan-2-yl)cyclobutyl]quinoline-3-carboxamide;molecular hydrogen
CID 158911555
7-(difluoromethoxy)-N-[1-(N-hydrazinyl-N-methylcarbamimidoyl)piperidin-4-yl]quinoline-3-carboxamide;molecular hydrogen
CID 145333175
7-(difluoromethoxy)-6-fluoro-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen
CID 159851754
7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide
CID 22136439
N-[4-[(2R)-2-hydroxypropoxy]cyclohexyl]-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide
CID 176790912
N-[4-[[(2S)-1,1-difluoropropan-2-yl]amino]cyclohexyl]quinoline-3-carboxamide
CID 150149024
N-[4-(2,2-difluoroethylamino)cyclohexyl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide
CID 129247875
7-methoxy-N-(2-methylpropyl)quinoline-3-carboxamide
CID 110489915

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide?
The IUPAC name of 7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide (CID 129247348) is 7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide.
What is the SMILES notation for 7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide?
The canonical SMILES for 7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide is CC(O)COC1CCC(NC(=O)c2cnc3cc(OC(F)F)ccc3c2)CC1.
What is the InChIKey of 7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide?
The InChIKey is PUUCLSOESVOWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O4/c1-12(25)11-27-16-6-3-15(4-7-16)24-19(26)14-8-13-2-5-17(28-20(21)22)9-18(13)23-10-14/h2,5,8-10,12,15-16,20,25H,3-4,6-7,11H2,1H3,(H,24,26).
What are the key properties of 7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide?
7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide has a molecular weight of 394.42 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide is sourced from PubChem (CID 129247348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).