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

C22H24N2O4 — CID 4881605

IUPACN-[1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCCOc1ccc(C(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)
InChIKeyJERJBJRZXWDMFX-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.82
Rot. Bonds7

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

N-[1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 4881605) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID4881605
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCCOc1ccc(C(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)
InChIKeyJERJBJRZXWDMFX-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide (CID 4881605) is N-[1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide is CCOc1ccc(C(C)NC(=O)c2cc(=O)[nH]c3ccccc23)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is JERJBJRZXWDMFX-UHFFFAOYSA-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).
What are the key properties of N-[1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[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-[1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 4881605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).