2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]quinoline-7-carboxamide

C18H20N2O2 — CID 91769351

IUPAC2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]quinoline-7-carboxamide
SMILESCc1cc(C)c2ccc(C(=O)N[C@H]3C[C@@H]4OCC[C@H]34)cc2n1
InChIInChI=1S/C18H20N2O2/c1-10-7-11(2)19-15-8-12(3-4-13(10)15)18(21)20-16-9-17-14(16)5-6-22-17/h3-4,7-8,14,16-17H,5-6,9H2,1-2H3,(H,20,21)/t14-,16+,17+/m1/s1
InChIKeyJUIBYZHUDIFIJR-PVAVHDDUSA-N
MW296.37 g/mol
LogP2.76
Rot. Bonds2

About 2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]quinoline-7-carboxamide

2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]quinoline-7-carboxamide (PubChem CID 91769351) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]quinoline-7-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]quinoline-7-carboxamide
PubChem CID91769351
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]quinoline-7-carboxamide
SMILESCc1cc(C)c2ccc(C(=O)N[C@H]3C[C@@H]4OCC[C@H]34)cc2n1
InChIInChI=1S/C18H20N2O2/c1-10-7-11(2)19-15-8-12(3-4-13(10)15)18(21)20-16-9-17-14(16)5-6-22-17/h3-4,7-8,14,16-17H,5-6,9H2,1-2H3,(H,20,21)/t14-,16+,17+/m1/s1
InChIKeyJUIBYZHUDIFIJR-PVAVHDDUSA-N
XLogP2.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]quinoline-7-carboxamide with MolForge

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Related Compounds

2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-5-carboxamide
CID 133266448
3-[(2,4-dimethylquinoline-7-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 121496875
2,4-dimethyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 133268115
4-[6-[[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]carbamoyl]naphthalen-1-yl]benzoic acid
CID 175642494
N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(trifluoromethoxy)benzamide
CID 133267398
N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(pyrrol-1-ylmethyl)benzamide
CID 91780019
2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-oxazole-5-carboxamide
CID 91763879
N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 133268403
3-(3-hydroxy-3-methylbutyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 91763791
2-(2,5-dimethylphenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133267562
6-methoxy-3-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-2-carboxamide
CID 133266869
3,5,7-trimethyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-indole-2-carboxamide
CID 91790857

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]quinoline-7-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]quinoline-7-carboxamide (CID 91769351) is 2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]quinoline-7-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]quinoline-7-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]quinoline-7-carboxamide is Cc1cc(C)c2ccc(C(=O)N[C@H]3C[C@@H]4OCC[C@H]34)cc2n1.
What is the InChIKey of 2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]quinoline-7-carboxamide?
The InChIKey is JUIBYZHUDIFIJR-PVAVHDDUSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-10-7-11(2)19-15-8-12(3-4-13(10)15)18(21)20-16-9-17-14(16)5-6-22-17/h3-4,7-8,14,16-17H,5-6,9H2,1-2H3,(H,20,21)/t14-,16+,17+/m1/s1.
What are the key properties of 2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]quinoline-7-carboxamide?
2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]quinoline-7-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]quinoline-7-carboxamide is sourced from PubChem (CID 91769351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).