5-amino-N-ethyl-N-(2-hydroxyethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide

C17H23N3O3 — CID 94947270

IUPAC5-amino-N-ethyl-N-(2-hydroxyethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide
SMILESCCN(CCO)C(=O)c1cn(C(C)C)c2cccc(N)c2c1=O
InChIInChI=1S/C17H23N3O3/c1-4-19(8-9-21)17(23)12-10-20(11(2)3)14-7-5-6-13(18)15(14)16(12)22/h5-7,10-11,21H,4,8-9,18H2,1-3H3
InChIKeyUBXJEKUFJOUWHR-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.62
Rot. Bonds5

About 5-amino-N-ethyl-N-(2-hydroxyethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide

5-amino-N-ethyl-N-(2-hydroxyethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide (PubChem CID 94947270) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-amino-N-ethyl-N-(2-hydroxyethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N-(2-hydroxyethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide
PubChem CID94947270
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name5-amino-N-ethyl-N-(2-hydroxyethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide
SMILESCCN(CCO)C(=O)c1cn(C(C)C)c2cccc(N)c2c1=O
InChIInChI=1S/C17H23N3O3/c1-4-19(8-9-21)17(23)12-10-20(11(2)3)14-7-5-6-13(18)15(14)16(12)22/h5-7,10-11,21H,4,8-9,18H2,1-3H3
InChIKeyUBXJEKUFJOUWHR-UHFFFAOYSA-N
XLogP1.62
TPSA88.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N-(2-hydroxyethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
The IUPAC name of 5-amino-N-ethyl-N-(2-hydroxyethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide (CID 94947270) is 5-amino-N-ethyl-N-(2-hydroxyethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide.
What is the SMILES notation for 5-amino-N-ethyl-N-(2-hydroxyethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
The canonical SMILES for 5-amino-N-ethyl-N-(2-hydroxyethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide is CCN(CCO)C(=O)c1cn(C(C)C)c2cccc(N)c2c1=O.
What is the InChIKey of 5-amino-N-ethyl-N-(2-hydroxyethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
The InChIKey is UBXJEKUFJOUWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-19(8-9-21)17(23)12-10-20(11(2)3)14-7-5-6-13(18)15(14)16(12)22/h5-7,10-11,21H,4,8-9,18H2,1-3H3.
What are the key properties of 5-amino-N-ethyl-N-(2-hydroxyethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
5-amino-N-ethyl-N-(2-hydroxyethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-N-(2-hydroxyethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 94947270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).