N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]quinoline-2-carboxamide

C20H23N3O4 — CID 10499322

IUPACN-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]quinoline-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC1COCC1=O
InChIInChI=1S/C20H23N3O4/c1-12(2)9-16(20(26)23-17-10-27-11-18(17)24)22-19(25)15-8-7-13-5-3-4-6-14(13)21-15/h3-8,12,16-17H,9-11H2,1-2H3,(H,22,25)(H,23,26)/t16-,17?/m0/s1
InChIKeyRETZIRPJWJFESI-BHWOMJMDSA-N
MW369.42 g/mol
LogP1.46
Rot. Bonds6

About N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]quinoline-2-carboxamide

N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]quinoline-2-carboxamide (PubChem CID 10499322) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]quinoline-2-carboxamide
PubChem CID10499322
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]quinoline-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC1COCC1=O
InChIInChI=1S/C20H23N3O4/c1-12(2)9-16(20(26)23-17-10-27-11-18(17)24)22-19(25)15-8-7-13-5-3-4-6-14(13)21-15/h3-8,12,16-17H,9-11H2,1-2H3,(H,22,25)(H,23,26)/t16-,17?/m0/s1
InChIKeyRETZIRPJWJFESI-BHWOMJMDSA-N
XLogP1.46
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]quinoline-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-(2-quinolin-2-ylethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
CID 132497604
N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2873539
[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(quinoline-2-carbonylamino)propanoyl]amino]butyl]boronic acid
CID 24861584
2-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 2105531
N-[2-(dimethylamino)-2-phenylethyl]quinoline-2-carboxamide
CID 3441910
Methyl N-(quinoline-2-carbonyl)-L-phenylalaninate
CID 9439964
[(1R)-1-[[(2S,3R)-3-hydroxy-2-(quinoline-2-carbonylamino)butanoyl]amino]-3-methylbutyl]boronic acid
CID 11710784
N-((3S,5R)-5-((N-hydroxyformamido)methyl)-2-methyl-4-oxononan-3-yl)quinoline-2-carboxamide
CID 24760700
N-[(2S)-1-[[(1R)-1-dimethylboranyl-3-methylbutyl]amino]-1-oxo-4-phenylbutan-2-yl]quinoline-2-carboxamide
CID 44583089
N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]quinoline-2-carboxamide
CID 145343717
N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]amino]butan-2-yl]quinoline-2-carboxamide
CID 166625745
N-(1-phenylethyl)quinoline-2-carboxamide
CID 3564970

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]quinoline-2-carboxamide?
The IUPAC name of N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]quinoline-2-carboxamide (CID 10499322) is N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]quinoline-2-carboxamide?
The canonical SMILES for N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]quinoline-2-carboxamide is CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC1COCC1=O.
What is the InChIKey of N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]quinoline-2-carboxamide?
The InChIKey is RETZIRPJWJFESI-BHWOMJMDSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-12(2)9-16(20(26)23-17-10-27-11-18(17)24)22-19(25)15-8-7-13-5-3-4-6-14(13)21-15/h3-8,12,16-17H,9-11H2,1-2H3,(H,22,25)(H,23,26)/t16-,17?/m0/s1.
What are the key properties of N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]quinoline-2-carboxamide?
N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]quinoline-2-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]quinoline-2-carboxamide is sourced from PubChem (CID 10499322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).