N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-oxo-1H-quinoline-3-carboxamide

C17H21N3O2 — CID 95091675

IUPACN-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCN(C)[C@@H](CNC(=O)c1c[nH]c2ccccc2c1=O)C1CC1
InChIInChI=1S/C17H21N3O2/c1-20(2)15(11-7-8-11)10-19-17(22)13-9-18-14-6-4-3-5-12(14)16(13)21/h3-6,9,11,15H,7-8,10H2,1-2H3,(H,18,21)(H,19,22)/t15-/m0/s1
InChIKeyVMTHWBBRXCZNAL-HNNXBMFYSA-N
MW299.37 g/mol
LogP1.60
Rot. Bonds5

About N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-oxo-1H-quinoline-3-carboxamide

N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 95091675) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID95091675
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCN(C)[C@@H](CNC(=O)c1c[nH]c2ccccc2c1=O)C1CC1
InChIInChI=1S/C17H21N3O2/c1-20(2)15(11-7-8-11)10-19-17(22)13-9-18-14-6-4-3-5-12(14)16(13)21/h3-6,9,11,15H,7-8,10H2,1-2H3,(H,18,21)(H,19,22)/t15-/m0/s1
InChIKeyVMTHWBBRXCZNAL-HNNXBMFYSA-N
XLogP1.60
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylhexyl)-4-oxo-1H-quinoline-3-carboxamide
CID 86983437
4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide
CID 119403797
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 111451138
N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 13151201
N-[(3-methyloxetan-3-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 78957665
N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 119542313
N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-4-oxo-1H-quinoline-3-carboxamide
CID 110011778
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 94815210
N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]quinoxaline-2-carboxamide
CID 94159016
N-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 51119861
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 66675128
N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
CID 113268799

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 95091675) is N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-oxo-1H-quinoline-3-carboxamide is CN(C)[C@@H](CNC(=O)c1c[nH]c2ccccc2c1=O)C1CC1.
What is the InChIKey of N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is VMTHWBBRXCZNAL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-20(2)15(11-7-8-11)10-19-17(22)13-9-18-14-6-4-3-5-12(14)16(13)21/h3-6,9,11,15H,7-8,10H2,1-2H3,(H,18,21)(H,19,22)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 95091675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).