N-[1-(4-ethoxyphenyl)ethyl]quinoline-4-carboxamide

C20H20N2O2 — CID 134010257

IUPACN-[1-(4-ethoxyphenyl)ethyl]quinoline-4-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccnc3ccccc23)cc1
InChIInChI=1S/C20H20N2O2/c1-3-24-16-10-8-15(9-11-16)14(2)22-20(23)18-12-13-21-19-7-5-4-6-17(18)19/h4-14H,3H2,1-2H3,(H,22,23)
InChIKeyKOKBJHLPRSGSTD-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.12
Rot. Bonds5

About N-[1-(4-ethoxyphenyl)ethyl]quinoline-4-carboxamide

N-[1-(4-ethoxyphenyl)ethyl]quinoline-4-carboxamide (PubChem CID 134010257) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]quinoline-4-carboxamide
PubChem CID134010257
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]quinoline-4-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccnc3ccccc23)cc1
InChIInChI=1S/C20H20N2O2/c1-3-24-16-10-8-15(9-11-16)14(2)22-20(23)18-12-13-21-19-7-5-4-6-17(18)19/h4-14H,3H2,1-2H3,(H,22,23)
InChIKeyKOKBJHLPRSGSTD-UHFFFAOYSA-N
XLogP4.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 78814424
N-pentan-3-ylquinoline-4-carboxamide
CID 78813506
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide
CID 103725802
N-[1-(4-ethoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 42928541
3-(quinoline-4-carbonylamino)butanoic acid
CID 81455717
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide
CID 99953141
2-(2-amino-2-oxoethoxy)-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 24582222
N-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide
CID 55725605
2-(4-butoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 3274863
2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 16580047
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
N-[1-(4-ethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 134010201

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]quinoline-4-carboxamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]quinoline-4-carboxamide (CID 134010257) is N-[1-(4-ethoxyphenyl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]quinoline-4-carboxamide is CCOc1ccc(C(C)NC(=O)c2ccnc3ccccc23)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]quinoline-4-carboxamide?
The InChIKey is KOKBJHLPRSGSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-24-16-10-8-15(9-11-16)14(2)22-20(23)18-12-13-21-19-7-5-4-6-17(18)19/h4-14H,3H2,1-2H3,(H,22,23).
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]quinoline-4-carboxamide?
N-[1-(4-ethoxyphenyl)ethyl]quinoline-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 134010257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).