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

C22H24N2O5 — CID 54740507

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2c(O)c3ccccc3[nH]c2=O)cc1OCC
InChIInChI=1S/C22H24N2O5/c1-3-28-17-10-9-14(13-18(17)29-4-2)11-12-23-21(26)19-20(25)15-7-5-6-8-16(15)24-22(19)27/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,26)(H2,24,25,27)
InChIKeyMHVXSBZNEWGNKK-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.00
Rot. Bonds8

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

N-[2-(3,4-diethoxyphenyl)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 54740507) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
PubChem CID54740507
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2c(O)c3ccccc3[nH]c2=O)cc1OCC
InChIInChI=1S/C22H24N2O5/c1-3-28-17-10-9-14(13-18(17)29-4-2)11-12-23-21(26)19-20(25)15-7-5-6-8-16(15)24-22(19)27/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,26)(H2,24,25,27)
InChIKeyMHVXSBZNEWGNKK-UHFFFAOYSA-N
XLogP3.00
TPSA100.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54677806
4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 54684670
2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide
CID 119943708
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 135549434
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871526
N-[2-(3,4-diethoxyphenyl)ethyl]-1-oxo-4-phenylisochromene-3-carboxamide
CID 20854050
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
CID 54682420
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)benzamide
CID 1312332
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 54706702
N-[2-(3,4-diethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide
CID 33239228
3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645310

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (CID 54740507) is N-[2-(3,4-diethoxyphenyl)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is CCOc1ccc(CCNC(=O)c2c(O)c3ccccc3[nH]c2=O)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is MHVXSBZNEWGNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-3-28-17-10-9-14(13-18(17)29-4-2)11-12-23-21(26)19-20(25)15-7-5-6-8-16(15)24-22(19)27/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,26)(H2,24,25,27).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 3.00, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54740507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).