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

C16H22ClN3O4 — CID 54686766

IUPAC1-ethyl-4-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-2-oxoquinoline-3-carboxamide;hydrochloride
SMILESCCn1c(=O)c(C(=O)NCCNCCO)c(O)c2ccccc21.Cl
InChIInChI=1S/C16H21N3O4.ClH/c1-2-19-12-6-4-3-5-11(12)14(21)13(16(19)23)15(22)18-8-7-17-9-10-20;/h3-6,17,20-21H,2,7-10H2,1H3,(H,18,22);1H
InChIKeyZSSKOZUCRGEWFO-UHFFFAOYSA-N
MW355.82 g/mol
LogP0.46
Rot. Bonds7

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

1-ethyl-4-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-2-oxoquinoline-3-carboxamide;hydrochloride (PubChem CID 54686766) has the molecular formula C16H22ClN3O4 and a molecular weight of 355.82 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-2-oxoquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-2-oxoquinoline-3-carboxamide;hydrochloride
PubChem CID54686766
Molecular FormulaC16H22ClN3O4
Molecular Weight355.82 g/mol
Exact Mass355.13
IUPAC Name1-ethyl-4-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-2-oxoquinoline-3-carboxamide;hydrochloride
SMILESCCn1c(=O)c(C(=O)NCCNCCO)c(O)c2ccccc21.Cl
InChIInChI=1S/C16H21N3O4.ClH/c1-2-19-12-6-4-3-5-11(12)14(21)13(16(19)23)15(22)18-8-7-17-9-10-20;/h3-6,17,20-21H,2,7-10H2,1H3,(H,18,22);1H
InChIKeyZSSKOZUCRGEWFO-UHFFFAOYSA-N
XLogP0.46
TPSA103.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-4-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-2-oxoquinoline-3-carboxamide;hydrochloride?
The IUPAC name of 1-ethyl-4-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-2-oxoquinoline-3-carboxamide;hydrochloride (CID 54686766) is 1-ethyl-4-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-2-oxoquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-ethyl-4-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-2-oxoquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for 1-ethyl-4-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-2-oxoquinoline-3-carboxamide;hydrochloride is CCn1c(=O)c(C(=O)NCCNCCO)c(O)c2ccccc21.Cl.
What is the InChIKey of 1-ethyl-4-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-2-oxoquinoline-3-carboxamide;hydrochloride?
The InChIKey is ZSSKOZUCRGEWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4.ClH/c1-2-19-12-6-4-3-5-11(12)14(21)13(16(19)23)15(22)18-8-7-17-9-10-20;/h3-6,17,20-21H,2,7-10H2,1H3,(H,18,22);1H.
What are the key properties of 1-ethyl-4-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-2-oxoquinoline-3-carboxamide;hydrochloride?
1-ethyl-4-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-2-oxoquinoline-3-carboxamide;hydrochloride has a molecular weight of 355.82 g/mol, XLogP of 0.46, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-2-oxoquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 54686766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).