N-[(2R)-1-aminopropan-2-yl]-2-oxo-1H-quinoline-4-carboxamide

C13H15N3O2 — CID 104872786

IUPACN-[(2R)-1-aminopropan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESC[C@H](CN)NC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C13H15N3O2/c1-8(7-14)15-13(18)10-6-12(17)16-11-5-3-2-4-9(10)11/h2-6,8H,7,14H2,1H3,(H,15,18)(H,16,17)/t8-/m1/s1
InChIKeyZNHOAJZPVUKUMV-MRVPVSSYSA-N
MW245.28 g/mol
LogP0.61
Rot. Bonds3

About N-[(2R)-1-aminopropan-2-yl]-2-oxo-1H-quinoline-4-carboxamide

N-[(2R)-1-aminopropan-2-yl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 104872786) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID104872786
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESC[C@H](CN)NC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C13H15N3O2/c1-8(7-14)15-13(18)10-6-12(17)16-11-5-3-2-4-9(10)11/h2-6,8H,7,14H2,1H3,(H,15,18)(H,16,17)/t8-/m1/s1
InChIKeyZNHOAJZPVUKUMV-MRVPVSSYSA-N
XLogP0.61
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94065123
N-(1-amino-4-methylpentan-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 63887542
2-oxo-N-pent-4-yn-2-yl-1H-quinoline-4-carboxamide
CID 115661928
N-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 75409323
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
N-(1-aminopropan-2-yl)-N-methyl-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119583320
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2579582
methanamine;2-oxo-1H-quinoline-4-carboxylic acid
CID 143703164
N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2542774
N-(2-ethylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 6456887
2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-4-carboxamide
CID 72873584
2-oxo-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-quinoline-4-carboxamide
CID 94813358

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2-oxo-1H-quinoline-4-carboxamide (CID 104872786) is N-[(2R)-1-aminopropan-2-yl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-2-oxo-1H-quinoline-4-carboxamide is C[C@H](CN)NC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is ZNHOAJZPVUKUMV-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8(7-14)15-13(18)10-6-12(17)16-11-5-3-2-4-9(10)11/h2-6,8H,7,14H2,1H3,(H,15,18)(H,16,17)/t8-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-2-oxo-1H-quinoline-4-carboxamide?
N-[(2R)-1-aminopropan-2-yl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 104872786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).