7-(difluoromethoxy)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]quinoline-3-carboxamide

C19H22F2N2O4 — CID 129276278

IUPAC7-(difluoromethoxy)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]quinoline-3-carboxamide
SMILESCC(C)(O)[C@@H]1CC[C@@H](NC(=O)c2cnc3cc(OC(F)F)ccc3c2)CO1
InChIInChI=1S/C19H22F2N2O4/c1-19(2,25)16-6-4-13(10-26-16)23-17(24)12-7-11-3-5-14(27-18(20)21)8-15(11)22-9-12/h3,5,7-9,13,16,18,25H,4,6,10H2,1-2H3,(H,23,24)/t13-,16+/m1/s1
InChIKeyXZMLVWROCNETLC-CJNGLKHVSA-N
MW380.39 g/mol
LogP2.88
Rot. Bonds5

About 7-(difluoromethoxy)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]quinoline-3-carboxamide

7-(difluoromethoxy)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]quinoline-3-carboxamide (PubChem CID 129276278) has the molecular formula C19H22F2N2O4 and a molecular weight of 380.39 g/mol. Its IUPAC name is 7-(difluoromethoxy)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethoxy)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]quinoline-3-carboxamide
PubChem CID129276278
Molecular FormulaC19H22F2N2O4
Molecular Weight380.39 g/mol
Exact Mass380.15
IUPAC Name7-(difluoromethoxy)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]quinoline-3-carboxamide
SMILESCC(C)(O)[C@@H]1CC[C@@H](NC(=O)c2cnc3cc(OC(F)F)ccc3c2)CO1
InChIInChI=1S/C19H22F2N2O4/c1-19(2,25)16-6-4-13(10-26-16)23-17(24)12-7-11-3-5-14(27-18(20)21)8-15(11)22-9-12/h3,5,7-9,13,16,18,25H,4,6,10H2,1-2H3,(H,23,24)/t13-,16+/m1/s1
InChIKeyXZMLVWROCNETLC-CJNGLKHVSA-N
XLogP2.88
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(difluoromethoxy)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]quinoline-3-carboxamide with MolForge

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Related Compounds

7-(difluoromethoxy)-N-[3-(2-hydroxypropan-2-yl)cyclobutyl]quinoline-3-carboxamide;molecular hydrogen
CID 158911555
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-[4-(2-hydroxypropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen
CID 157197541
N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-7-methoxyquinoline-3-carboxamide
CID 129247320
7-(dimethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 129247376
7-(difluoromethoxy)-N-[1-(N-hydrazinyl-N-methylcarbamimidoyl)piperidin-4-yl]quinoline-3-carboxamide;molecular hydrogen
CID 145333175
7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide
CID 22136439
6-chloro-7-(1,1-difluoroethyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 129247343
6-chloro-7-(2-fluoropropan-2-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 129247336
7-(difluoromethoxy)-6-fluoro-N-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)cyclohexyl]quinoline-3-carboxamide;molecular hydrogen
CID 159851754
4-[[6-chloro-7-(difluoromethoxy)quinoline-3-carbonyl]amino]-N,N-dimethylcyclohexan-1-amine oxide
CID 129247358

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethoxy)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]quinoline-3-carboxamide?
The IUPAC name of 7-(difluoromethoxy)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]quinoline-3-carboxamide (CID 129276278) is 7-(difluoromethoxy)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]quinoline-3-carboxamide.
What is the SMILES notation for 7-(difluoromethoxy)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]quinoline-3-carboxamide?
The canonical SMILES for 7-(difluoromethoxy)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]quinoline-3-carboxamide is CC(C)(O)[C@@H]1CC[C@@H](NC(=O)c2cnc3cc(OC(F)F)ccc3c2)CO1.
What is the InChIKey of 7-(difluoromethoxy)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]quinoline-3-carboxamide?
The InChIKey is XZMLVWROCNETLC-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H22F2N2O4/c1-19(2,25)16-6-4-13(10-26-16)23-17(24)12-7-11-3-5-14(27-18(20)21)8-15(11)22-9-12/h3,5,7-9,13,16,18,25H,4,6,10H2,1-2H3,(H,23,24)/t13-,16+/m1/s1.
What are the key properties of 7-(difluoromethoxy)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]quinoline-3-carboxamide?
7-(difluoromethoxy)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]quinoline-3-carboxamide has a molecular weight of 380.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethoxy)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]quinoline-3-carboxamide is sourced from PubChem (CID 129276278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).