1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid

C17H20N2O5 — CID 90772389

IUPAC1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2ccc(NCCOCCO)cc2c1=O
InChIInChI=1S/C17H20N2O5/c20-6-8-24-7-5-18-11-1-4-15-13(9-11)16(21)14(17(22)23)10-19(15)12-2-3-12/h1,4,9-10,12,18,20H,2-3,5-8H2,(H,22,23)
InChIKeyWJKIGZFLVVEDTI-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.46
Rot. Bonds8

About 1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid

1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid (PubChem CID 90772389) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
PubChem CID90772389
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2ccc(NCCOCCO)cc2c1=O
InChIInChI=1S/C17H20N2O5/c20-6-8-24-7-5-18-11-1-4-15-13(9-11)16(21)14(17(22)23)10-19(15)12-2-3-12/h1,4,9-10,12,18,20H,2-3,5-8H2,(H,22,23)
InChIKeyWJKIGZFLVVEDTI-UHFFFAOYSA-N
XLogP1.46
TPSA100.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.46
H-Bond Donors ≤ 53
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-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid (CID 90772389) is 1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(C2CC2)c2ccc(NCCOCCO)cc2c1=O.
What is the InChIKey of 1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is WJKIGZFLVVEDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c20-6-8-24-7-5-18-11-1-4-15-13(9-11)16(21)14(17(22)23)10-19(15)12-2-3-12/h1,4,9-10,12,18,20H,2-3,5-8H2,(H,22,23).
What are the key properties of 1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid?
1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 1.46, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 90772389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).