N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide

C22H24N2O4 — CID 2579582

IUPACN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCCOc1ccc([C@H](C)NC(=O)c2cc(=O)[nH]c3ccccc23)cc1OCC
InChIInChI=1S/C22H24N2O4/c1-4-27-19-11-10-15(12-20(19)28-5-2)14(3)23-22(26)17-13-21(25)24-18-9-7-6-8-16(17)18/h6-14H,4-5H2,1-3H3,(H,23,26)(H,24,25)/t14-/m0/s1
InChIKeyJERJBJRZXWDMFX-AWEZNQCLSA-N
MW380.44 g/mol
LogP3.82
Rot. Bonds7

About N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide

N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 2579582) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID2579582
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCCOc1ccc([C@H](C)NC(=O)c2cc(=O)[nH]c3ccccc23)cc1OCC
InChIInChI=1S/C22H24N2O4/c1-4-27-19-11-10-15(12-20(19)28-5-2)14(3)23-22(26)17-13-21(25)24-18-9-7-6-8-16(17)18/h6-14H,4-5H2,1-3H3,(H,23,26)(H,24,25)/t14-/m0/s1
InChIKeyJERJBJRZXWDMFX-AWEZNQCLSA-N
XLogP3.82
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94065123
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 9162190
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 2573137
N-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 75409323
N-[(2R)-1-aminopropan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 104872786
2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide
CID 46416040
2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 112791671
2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methylbenzamide
CID 100521380
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
CID 7936483
N-[1-[1-(3,4-diethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 43011675
2-oxo-N-pent-4-yn-2-yl-1H-quinoline-4-carboxamide
CID 115661928

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide (CID 2579582) is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide is CCOc1ccc([C@H](C)NC(=O)c2cc(=O)[nH]c3ccccc23)cc1OCC.
What is the InChIKey of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is JERJBJRZXWDMFX-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-4-27-19-11-10-15(12-20(19)28-5-2)14(3)23-22(26)17-13-21(25)24-18-9-7-6-8-16(17)18/h6-14H,4-5H2,1-3H3,(H,23,26)(H,24,25)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 2579582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).