N-(2-ethoxyethyl)-4-(ethylamino)quinoline-2-carboxamide

C16H21N3O2 — CID 63377460

IUPACN-(2-ethoxyethyl)-4-(ethylamino)quinoline-2-carboxamide
SMILESCCNc1cc(C(=O)NCCOCC)nc2ccccc12
InChIInChI=1S/C16H21N3O2/c1-3-17-14-11-15(16(20)18-9-10-21-4-2)19-13-8-6-5-7-12(13)14/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyMLKRVWFWZKFHPT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.43
Rot. Bonds7

About N-(2-ethoxyethyl)-4-(ethylamino)quinoline-2-carboxamide

N-(2-ethoxyethyl)-4-(ethylamino)quinoline-2-carboxamide (PubChem CID 63377460) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-4-(ethylamino)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-4-(ethylamino)quinoline-2-carboxamide
PubChem CID63377460
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(2-ethoxyethyl)-4-(ethylamino)quinoline-2-carboxamide
SMILESCCNc1cc(C(=O)NCCOCC)nc2ccccc12
InChIInChI=1S/C16H21N3O2/c1-3-17-14-11-15(16(20)18-9-10-21-4-2)19-13-8-6-5-7-12(13)14/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyMLKRVWFWZKFHPT-UHFFFAOYSA-N
XLogP2.43
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethoxyethylamino)quinoline-2-carboxylic acid
CID 55183063
4-(ethylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide
CID 63963158
N-butan-2-yl-4-(ethylamino)quinoline-2-carboxamide
CID 63377555
4-amino-N-(2-butoxyethyl)quinoline-2-carboxamide
CID 63375414
4-[2-(2-hydroxyethoxy)ethylamino]quinoline-2-carboxylic acid
CID 63377476
4-[2-(2-methylprop-2-enoxy)ethylamino]quinoline-2-carboxylic acid
CID 114468112
N-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide
CID 63375251
4-(2-acetamidoethylamino)quinoline-2-carboxylic acid
CID 63373952
4-hydrazinyl-N-(3,3,3-trifluoropropyl)quinoline-2-carboxamide
CID 63375657
4-(2-methylbutan-2-ylamino)quinoline-2-carboxylic acid
CID 55185061
4-N-(2-ethoxyethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80793590
4-(2,2-dimethylbutylamino)quinoline-2-carboxylic acid
CID 103462060

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-4-(ethylamino)quinoline-2-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-4-(ethylamino)quinoline-2-carboxamide (CID 63377460) is N-(2-ethoxyethyl)-4-(ethylamino)quinoline-2-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-4-(ethylamino)quinoline-2-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-4-(ethylamino)quinoline-2-carboxamide is CCNc1cc(C(=O)NCCOCC)nc2ccccc12.
What is the InChIKey of N-(2-ethoxyethyl)-4-(ethylamino)quinoline-2-carboxamide?
The InChIKey is MLKRVWFWZKFHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-17-14-11-15(16(20)18-9-10-21-4-2)19-13-8-6-5-7-12(13)14/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(2-ethoxyethyl)-4-(ethylamino)quinoline-2-carboxamide?
N-(2-ethoxyethyl)-4-(ethylamino)quinoline-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-4-(ethylamino)quinoline-2-carboxamide is sourced from PubChem (CID 63377460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).