1-ethyl-4-hydroxy-N-(3-hydroxypropyl)-2-oxoquinoline-3-carboxamide

C15H18N2O4 — CID 54690399

IUPAC1-ethyl-4-hydroxy-N-(3-hydroxypropyl)-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)NCCCO)c(O)c2ccccc21
InChIInChI=1S/C15H18N2O4/c1-2-17-11-7-4-3-6-10(11)13(19)12(15(17)21)14(20)16-8-5-9-18/h3-4,6-7,18-19H,2,5,8-9H2,1H3,(H,16,20)
InChIKeyWTPFOINBQXUSSF-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.84
Rot. Bonds5

About 1-ethyl-4-hydroxy-N-(3-hydroxypropyl)-2-oxoquinoline-3-carboxamide

1-ethyl-4-hydroxy-N-(3-hydroxypropyl)-2-oxoquinoline-3-carboxamide (PubChem CID 54690399) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-N-(3-hydroxypropyl)-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-N-(3-hydroxypropyl)-2-oxoquinoline-3-carboxamide
PubChem CID54690399
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-ethyl-4-hydroxy-N-(3-hydroxypropyl)-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)NCCCO)c(O)c2ccccc21
InChIInChI=1S/C15H18N2O4/c1-2-17-11-7-4-3-6-10(11)13(19)12(15(17)21)14(20)16-8-5-9-18/h3-4,6-7,18-19H,2,5,8-9H2,1H3,(H,16,20)
InChIKeyWTPFOINBQXUSSF-UHFFFAOYSA-N
XLogP0.84
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.84
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-4-hydroxy-N-(3-hydroxypropyl)-2-oxoquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-4-hydroxy-N-(3-hydroxypropyl)-2-oxoquinoline-3-carboxamide (CID 54690399) is 1-ethyl-4-hydroxy-N-(3-hydroxypropyl)-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-hydroxy-N-(3-hydroxypropyl)-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-4-hydroxy-N-(3-hydroxypropyl)-2-oxoquinoline-3-carboxamide is CCn1c(=O)c(C(=O)NCCCO)c(O)c2ccccc21.
What is the InChIKey of 1-ethyl-4-hydroxy-N-(3-hydroxypropyl)-2-oxoquinoline-3-carboxamide?
The InChIKey is WTPFOINBQXUSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-2-17-11-7-4-3-6-10(11)13(19)12(15(17)21)14(20)16-8-5-9-18/h3-4,6-7,18-19H,2,5,8-9H2,1H3,(H,16,20).
What are the key properties of 1-ethyl-4-hydroxy-N-(3-hydroxypropyl)-2-oxoquinoline-3-carboxamide?
1-ethyl-4-hydroxy-N-(3-hydroxypropyl)-2-oxoquinoline-3-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-N-(3-hydroxypropyl)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54690399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).