N-(3-ethoxypropyl)-8-ethyl-4-oxo-1H-quinoline-3-carboxamide

C17H22N2O3 — CID 3217749

IUPACN-(3-ethoxypropyl)-8-ethyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOCCCNC(=O)c1c[nH]c2c(CC)cccc2c1=O
InChIInChI=1S/C17H22N2O3/c1-3-12-7-5-8-13-15(12)19-11-14(16(13)20)17(21)18-9-6-10-22-4-2/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyBHBRHAMWPKUHJT-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.25
Rot. Bonds7

About N-(3-ethoxypropyl)-8-ethyl-4-oxo-1H-quinoline-3-carboxamide

N-(3-ethoxypropyl)-8-ethyl-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 3217749) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-8-ethyl-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-8-ethyl-4-oxo-1H-quinoline-3-carboxamide
PubChem CID3217749
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(3-ethoxypropyl)-8-ethyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOCCCNC(=O)c1c[nH]c2c(CC)cccc2c1=O
InChIInChI=1S/C17H22N2O3/c1-3-12-7-5-8-13-15(12)19-11-14(16(13)20)17(21)18-9-6-10-22-4-2/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyBHBRHAMWPKUHJT-UHFFFAOYSA-N
XLogP2.25
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-1H-indole-3-carboxamide
CID 17474567
8-ethyl-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3217744
8-ethyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide
CID 25322575
N-[3-(dimethylamino)propyl]-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 91641164
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111840154
2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid
CID 84694419
N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide
CID 17311583
N-(3-butoxypropyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 30853286
N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide
CID 104916529
3-amino-2-chloro-N-(3-ethoxypropyl)benzamide
CID 112574223
N-(3-ethoxypropyl)-2-methyl-3-nitrobenzamide
CID 2172330
N-(2-hydroxyethyl)-4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxamide
CID 91640381

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-8-ethyl-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-8-ethyl-4-oxo-1H-quinoline-3-carboxamide (CID 3217749) is N-(3-ethoxypropyl)-8-ethyl-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-8-ethyl-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-8-ethyl-4-oxo-1H-quinoline-3-carboxamide is CCOCCCNC(=O)c1c[nH]c2c(CC)cccc2c1=O.
What is the InChIKey of N-(3-ethoxypropyl)-8-ethyl-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is BHBRHAMWPKUHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-12-7-5-8-13-15(12)19-11-14(16(13)20)17(21)18-9-6-10-22-4-2/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-(3-ethoxypropyl)-8-ethyl-4-oxo-1H-quinoline-3-carboxamide?
N-(3-ethoxypropyl)-8-ethyl-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-8-ethyl-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3217749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).