4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride

C17H22ClN3O4 — CID 54686762

IUPAC4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCOCC1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H21N3O4.ClH/c21-15-12-4-1-2-5-13(12)19-17(23)14(15)16(22)18-6-3-7-20-8-10-24-11-9-20;/h1-2,4-5H,3,6-11H2,(H,18,22)(H2,19,21,23);1H
InChIKeyGQXOPXRDJUIMBO-UHFFFAOYSA-N
MW367.83 g/mol
LogP1.11
Rot. Bonds5

About 4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride

4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride (PubChem CID 54686762) has the molecular formula C17H22ClN3O4 and a molecular weight of 367.83 g/mol. Its IUPAC name is 4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride
PubChem CID54686762
Molecular FormulaC17H22ClN3O4
Molecular Weight367.83 g/mol
Exact Mass367.13
IUPAC Name4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCOCC1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H21N3O4.ClH/c21-15-12-4-1-2-5-13(12)19-17(23)14(15)16(22)18-6-3-7-20-8-10-24-11-9-20;/h1-2,4-5H,3,6-11H2,(H,18,22)(H2,19,21,23);1H
InChIKeyGQXOPXRDJUIMBO-UHFFFAOYSA-N
XLogP1.11
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 51.11
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 4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride (CID 54686762) is 4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride is Cl.O=C(NCCCN1CCOCC1)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride?
The InChIKey is GQXOPXRDJUIMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4.ClH/c21-15-12-4-1-2-5-13(12)19-17(23)14(15)16(22)18-6-3-7-20-8-10-24-11-9-20;/h1-2,4-5H,3,6-11H2,(H,18,22)(H2,19,21,23);1H.
What are the key properties of 4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride?
4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride has a molecular weight of 367.83 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 54686762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).