N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide

C18H22N2O4 — CID 110166183

IUPACN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCO[C@@H]1CCCC(N(C)C(=O)c2cc3ccccc3[nH]c2=O)[C@H]1O
InChIInChI=1S/C18H22N2O4/c1-20(14-8-5-9-15(24-2)16(14)21)18(23)12-10-11-6-3-4-7-13(11)19-17(12)22/h3-4,6-7,10,14-16,21H,5,8-9H2,1-2H3,(H,19,22)/t14?,15-,16-/m1/s1
InChIKeyWMZAHMCXQXVHDI-ANGDWKNPSA-N
MW330.38 g/mol
LogP1.53
Rot. Bonds3

About N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 110166183) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide
PubChem CID110166183
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCO[C@@H]1CCCC(N(C)C(=O)c2cc3ccccc3[nH]c2=O)[C@H]1O
InChIInChI=1S/C18H22N2O4/c1-20(14-8-5-9-15(24-2)16(14)21)18(23)12-10-11-6-3-4-7-13(11)19-17(12)22/h3-4,6-7,10,14-16,21H,5,8-9H2,1-2H3,(H,19,22)/t14?,15-,16-/m1/s1
InChIKeyWMZAHMCXQXVHDI-ANGDWKNPSA-N
XLogP1.53
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide (CID 110166183) is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide is CO[C@@H]1CCCC(N(C)C(=O)c2cc3ccccc3[nH]c2=O)[C@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is WMZAHMCXQXVHDI-ANGDWKNPSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-20(14-8-5-9-15(24-2)16(14)21)18(23)12-10-11-6-3-4-7-13(11)19-17(12)22/h3-4,6-7,10,14-16,21H,5,8-9H2,1-2H3,(H,19,22)/t14?,15-,16-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 110166183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).