1-ethyl-N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride

C16H22ClN3O3 — CID 54686774

IUPAC1-ethyl-N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1c(O)c2ccccc2n(CC)c1=O.Cl
InChIInChI=1S/C16H21N3O3.ClH/c1-3-17-9-10-18-15(21)13-14(20)11-7-5-6-8-12(11)19(4-2)16(13)22;/h5-8,17,20H,3-4,9-10H2,1-2H3,(H,18,21);1H
InChIKeyCRBGXRUBXBIALV-UHFFFAOYSA-N
MW339.82 g/mol
LogP1.49
Rot. Bonds6

About 1-ethyl-N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride

1-ethyl-N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride (PubChem CID 54686774) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is 1-ethyl-N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-ethyl-N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride
PubChem CID54686774
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name1-ethyl-N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1c(O)c2ccccc2n(CC)c1=O.Cl
InChIInChI=1S/C16H21N3O3.ClH/c1-3-17-9-10-18-15(21)13-14(20)11-7-5-6-8-12(11)19(4-2)16(13)22;/h5-8,17,20H,3-4,9-10H2,1-2H3,(H,18,21);1H
InChIKeyCRBGXRUBXBIALV-UHFFFAOYSA-N
XLogP1.49
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 1-ethyl-N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride?
The IUPAC name of 1-ethyl-N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride (CID 54686774) is 1-ethyl-N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-ethyl-N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for 1-ethyl-N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride is CCNCCNC(=O)c1c(O)c2ccccc2n(CC)c1=O.Cl.
What is the InChIKey of 1-ethyl-N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride?
The InChIKey is CRBGXRUBXBIALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3.ClH/c1-3-17-9-10-18-15(21)13-14(20)11-7-5-6-8-12(11)19(4-2)16(13)22;/h5-8,17,20H,3-4,9-10H2,1-2H3,(H,18,21);1H.
What are the key properties of 1-ethyl-N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride?
1-ethyl-N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride has a molecular weight of 339.82 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 54686774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).