7-(difluoromethoxy)-N-[3-(2-hydroxypropan-2-yl)cyclobutyl]quinoline-3-carboxamide;molecular hydrogen

C18H22F2N2O3 — CID 158911555

IUPAC7-(difluoromethoxy)-N-[3-(2-hydroxypropan-2-yl)cyclobutyl]quinoline-3-carboxamide;molecular hydrogen
SMILESCC(C)(O)C1CC(NC(=O)c2cnc3cc(OC(F)F)ccc3c2)C1.[H][H]
InChIInChI=1S/C18H20F2N2O3.H2/c1-18(2,24)12-6-13(7-12)22-16(23)11-5-10-3-4-14(25-17(19)20)8-15(10)21-9-11;/h3-5,8-9,12-13,17,24H,6-7H2,1-2H3,(H,22,23);1H
InChIKeyJGSFLZUWXFOXAD-UHFFFAOYSA-N
MW352.38 g/mol
LogP3.36
Rot. Bonds5

About 7-(difluoromethoxy)-N-[3-(2-hydroxypropan-2-yl)cyclobutyl]quinoline-3-carboxamide;molecular hydrogen

7-(difluoromethoxy)-N-[3-(2-hydroxypropan-2-yl)cyclobutyl]quinoline-3-carboxamide;molecular hydrogen (PubChem CID 158911555) has the molecular formula C18H22F2N2O3 and a molecular weight of 352.38 g/mol. Its IUPAC name is 7-(difluoromethoxy)-N-[3-(2-hydroxypropan-2-yl)cyclobutyl]quinoline-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name7-(difluoromethoxy)-N-[3-(2-hydroxypropan-2-yl)cyclobutyl]quinoline-3-carboxamide;molecular hydrogen
PubChem CID158911555
Molecular FormulaC18H22F2N2O3
Molecular Weight352.38 g/mol
Exact Mass352.16
IUPAC Name7-(difluoromethoxy)-N-[3-(2-hydroxypropan-2-yl)cyclobutyl]quinoline-3-carboxamide;molecular hydrogen
SMILESCC(C)(O)C1CC(NC(=O)c2cnc3cc(OC(F)F)ccc3c2)C1.[H][H]
InChIInChI=1S/C18H20F2N2O3.H2/c1-18(2,24)12-6-13(7-12)22-16(23)11-5-10-3-4-14(25-17(19)20)8-15(10)21-9-11;/h3-5,8-9,12-13,17,24H,6-7H2,1-2H3,(H,22,23);1H
InChIKeyJGSFLZUWXFOXAD-UHFFFAOYSA-N
XLogP3.36
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(difluoromethoxy)-N-[3-(2-hydroxypropan-2-yl)cyclobutyl]quinoline-3-carboxamide;molecular hydrogen with MolForge

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Related Compounds

7-(difluoromethoxy)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]quinoline-3-carboxamide
CID 129276278
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
7-(difluoromethoxy)-N-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide
CID 129247348
7-(difluoromethoxy)-N-[1-(N-hydrazinyl-N-methylcarbamimidoyl)piperidin-4-yl]quinoline-3-carboxamide;molecular hydrogen
CID 145333175
7-(dimethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 129247376
N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-7-methoxyquinoline-3-carboxamide
CID 129247320
7-(difluoromethoxy)-N-[3-[[(2R)-1,1-difluoropropan-2-yl]amino]cyclobutyl]-6-fluoroquinoline-3-carboxamide
CID 129247506
7-(difluoromethoxy)-6-fluoro-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen
CID 159851754
6-chloro-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-(propan-2-ylamino)quinoline-3-carboxamide;molecular hydrogen
CID 159593542
6-chloro-7-(2-fluoropropan-2-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 129247336
6-chloro-7-(1,1-difluoroethyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 129247343

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethoxy)-N-[3-(2-hydroxypropan-2-yl)cyclobutyl]quinoline-3-carboxamide;molecular hydrogen?
The IUPAC name of 7-(difluoromethoxy)-N-[3-(2-hydroxypropan-2-yl)cyclobutyl]quinoline-3-carboxamide;molecular hydrogen (CID 158911555) is 7-(difluoromethoxy)-N-[3-(2-hydroxypropan-2-yl)cyclobutyl]quinoline-3-carboxamide;molecular hydrogen.
What is the SMILES notation for 7-(difluoromethoxy)-N-[3-(2-hydroxypropan-2-yl)cyclobutyl]quinoline-3-carboxamide;molecular hydrogen?
The canonical SMILES for 7-(difluoromethoxy)-N-[3-(2-hydroxypropan-2-yl)cyclobutyl]quinoline-3-carboxamide;molecular hydrogen is CC(C)(O)C1CC(NC(=O)c2cnc3cc(OC(F)F)ccc3c2)C1.[H][H].
What is the InChIKey of 7-(difluoromethoxy)-N-[3-(2-hydroxypropan-2-yl)cyclobutyl]quinoline-3-carboxamide;molecular hydrogen?
The InChIKey is JGSFLZUWXFOXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3.H2/c1-18(2,24)12-6-13(7-12)22-16(23)11-5-10-3-4-14(25-17(19)20)8-15(10)21-9-11;/h3-5,8-9,12-13,17,24H,6-7H2,1-2H3,(H,22,23);1H.
What are the key properties of 7-(difluoromethoxy)-N-[3-(2-hydroxypropan-2-yl)cyclobutyl]quinoline-3-carboxamide;molecular hydrogen?
7-(difluoromethoxy)-N-[3-(2-hydroxypropan-2-yl)cyclobutyl]quinoline-3-carboxamide;molecular hydrogen has a molecular weight of 352.38 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethoxy)-N-[3-(2-hydroxypropan-2-yl)cyclobutyl]quinoline-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 158911555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).