N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-oxo-1H-quinoline-4-carboxamide

C20H27N3O3 — CID 29299185

IUPACN-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESC[C@@H]1CN(C(C)(C)CNC(=O)c2cc(=O)[nH]c3ccccc23)C[C@@H](C)O1
InChIInChI=1S/C20H27N3O3/c1-13-10-23(11-14(2)26-13)20(3,4)12-21-19(25)16-9-18(24)22-17-8-6-5-7-15(16)17/h5-9,13-14H,10-12H2,1-4H3,(H,21,25)(H,22,24)/t13-,14-/m1/s1
InChIKeyCMAQTJUHSAJARI-ZIAGYGMSSA-N
MW357.45 g/mol
LogP2.15
Rot. Bonds4

About N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-oxo-1H-quinoline-4-carboxamide

N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 29299185) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID29299185
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESC[C@@H]1CN(C(C)(C)CNC(=O)c2cc(=O)[nH]c3ccccc23)C[C@@H](C)O1
InChIInChI=1S/C20H27N3O3/c1-13-10-23(11-14(2)26-13)20(3,4)12-21-19(25)16-9-18(24)22-17-8-6-5-7-15(16)17/h5-9,13-14H,10-12H2,1-4H3,(H,21,25)(H,22,24)/t13-,14-/m1/s1
InChIKeyCMAQTJUHSAJARI-ZIAGYGMSSA-N
XLogP2.15
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-oxo-1H-quinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-methyl-2-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-4-carboxamide
CID 2450820
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-oxo-1H-pyridine-3-carboxamide
CID 47020165
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-1H-indazole-3-carboxamide
CID 29302728
N-(2,3-dihydroxy-2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide
CID 66168370
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 4087645
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 71685809
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 17435653
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,5-dimethylfuran-3-carboxamide
CID 29299383
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 51321370
2-(difluoromethoxy)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
CID 29303216
3-(cyclopropanecarbonylamino)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]naphthalene-2-carboxamide
CID 30889082
2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 2977759

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-oxo-1H-quinoline-4-carboxamide (CID 29299185) is N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-oxo-1H-quinoline-4-carboxamide is C[C@@H]1CN(C(C)(C)CNC(=O)c2cc(=O)[nH]c3ccccc23)C[C@@H](C)O1.
What is the InChIKey of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is CMAQTJUHSAJARI-ZIAGYGMSSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-13-10-23(11-14(2)26-13)20(3,4)12-21-19(25)16-9-18(24)22-17-8-6-5-7-15(16)17/h5-9,13-14H,10-12H2,1-4H3,(H,21,25)(H,22,24)/t13-,14-/m1/s1.
What are the key properties of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 29299185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).