N-[(2R)-2-(ethylamino)propyl]-2-oxo-1H-quinoline-3-carboxamide

C15H19N3O2 — CID 120650317

IUPACN-[(2R)-2-(ethylamino)propyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C15H19N3O2/c1-3-16-10(2)9-17-14(19)12-8-11-6-4-5-7-13(11)18-15(12)20/h4-8,10,16H,3,9H2,1-2H3,(H,17,19)(H,18,20)/t10-/m1/s1
InChIKeyJHSBKFIQYWCBJG-SNVBAGLBSA-N
MW273.34 g/mol
LogP1.26
Rot. Bonds5

About N-[(2R)-2-(ethylamino)propyl]-2-oxo-1H-quinoline-3-carboxamide

N-[(2R)-2-(ethylamino)propyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 120650317) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID120650317
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C15H19N3O2/c1-3-16-10(2)9-17-14(19)12-8-11-6-4-5-7-13(11)18-15(12)20/h4-8,10,16H,3,9H2,1-2H3,(H,17,19)(H,18,20)/t10-/m1/s1
InChIKeyJHSBKFIQYWCBJG-SNVBAGLBSA-N
XLogP1.26
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide
CID 42940320
2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 66951790
N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide
CID 142731854
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxo-1H-quinoline-3-carboxamide
CID 94732187
2-ethyl-2-[[(2-oxo-1H-quinoline-3-carbonyl)amino]methyl]butanoic acid
CID 122126262
2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
CID 16589971
2-acetyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120652333
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55485654
N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 123757934
N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731957
N-[(E)-hex-4-enyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731587

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-oxo-1H-quinoline-3-carboxamide (CID 120650317) is N-[(2R)-2-(ethylamino)propyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-oxo-1H-quinoline-3-carboxamide is CCN[C@H](C)CNC(=O)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is JHSBKFIQYWCBJG-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-16-10(2)9-17-14(19)12-8-11-6-4-5-7-13(11)18-15(12)20/h4-8,10,16H,3,9H2,1-2H3,(H,17,19)(H,18,20)/t10-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-oxo-1H-quinoline-3-carboxamide?
N-[(2R)-2-(ethylamino)propyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 120650317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).