N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C14H21N3O3 — CID 54684657

IUPACN-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCNCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C14H21N3O3/c1-2-15-7-8-16-13(19)11-12(18)9-5-3-4-6-10(9)17-14(11)20/h15H,2-8H2,1H3,(H,16,19)(H2,17,18,20)
InChIKeyNVXJSLFNYOPVPX-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.30
Rot. Bonds5

About N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 54684657) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID54684657
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCNCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C14H21N3O3/c1-2-15-7-8-16-13(19)11-12(18)9-5-3-4-6-10(9)17-14(11)20/h15H,2-8H2,1H3,(H,16,19)(H2,17,18,20)
InChIKeyNVXJSLFNYOPVPX-UHFFFAOYSA-N
XLogP0.30
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 54684657) is N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CCNCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2.
What is the InChIKey of N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is NVXJSLFNYOPVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-15-7-8-16-13(19)11-12(18)9-5-3-4-6-10(9)17-14(11)20/h15H,2-8H2,1H3,(H,16,19)(H2,17,18,20).
What are the key properties of N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.30, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54684657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).