7-[2-(dimethylamino)ethoxy]-1-ethyl-6-iodo-4-oxoquinoline-3-carboxylic acid

C16H19IN2O4 — CID 59617644

IUPAC7-[2-(dimethylamino)ethoxy]-1-ethyl-6-iodo-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(I)c(OCCN(C)C)cc21
InChIInChI=1S/C16H19IN2O4/c1-4-19-9-11(16(21)22)15(20)10-7-12(17)14(8-13(10)19)23-6-5-18(2)3/h7-9H,4-6H2,1-3H3,(H,21,22)
InChIKeyMOBMBBZIBDQPEU-UHFFFAOYSA-N
MW430.24 g/mol
LogP2.26
Rot. Bonds6

About 7-[2-(dimethylamino)ethoxy]-1-ethyl-6-iodo-4-oxoquinoline-3-carboxylic acid

7-[2-(dimethylamino)ethoxy]-1-ethyl-6-iodo-4-oxoquinoline-3-carboxylic acid (PubChem CID 59617644) has the molecular formula C16H19IN2O4 and a molecular weight of 430.24 g/mol. Its IUPAC name is 7-[2-(dimethylamino)ethoxy]-1-ethyl-6-iodo-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-[2-(dimethylamino)ethoxy]-1-ethyl-6-iodo-4-oxoquinoline-3-carboxylic acid
PubChem CID59617644
Molecular FormulaC16H19IN2O4
Molecular Weight430.24 g/mol
Exact Mass430.04
IUPAC Name7-[2-(dimethylamino)ethoxy]-1-ethyl-6-iodo-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(I)c(OCCN(C)C)cc21
InChIInChI=1S/C16H19IN2O4/c1-4-19-9-11(16(21)22)15(20)10-7-12(17)14(8-13(10)19)23-6-5-18(2)3/h7-9H,4-6H2,1-3H3,(H,21,22)
InChIKeyMOBMBBZIBDQPEU-UHFFFAOYSA-N
XLogP2.26
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(dimethylamino)ethoxy]-1-ethyl-6-iodo-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-[2-(dimethylamino)ethoxy]-1-ethyl-6-iodo-4-oxoquinoline-3-carboxylic acid (CID 59617644) is 7-[2-(dimethylamino)ethoxy]-1-ethyl-6-iodo-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-[2-(dimethylamino)ethoxy]-1-ethyl-6-iodo-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-[2-(dimethylamino)ethoxy]-1-ethyl-6-iodo-4-oxoquinoline-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(I)c(OCCN(C)C)cc21.
What is the InChIKey of 7-[2-(dimethylamino)ethoxy]-1-ethyl-6-iodo-4-oxoquinoline-3-carboxylic acid?
The InChIKey is MOBMBBZIBDQPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19IN2O4/c1-4-19-9-11(16(21)22)15(20)10-7-12(17)14(8-13(10)19)23-6-5-18(2)3/h7-9H,4-6H2,1-3H3,(H,21,22).
What are the key properties of 7-[2-(dimethylamino)ethoxy]-1-ethyl-6-iodo-4-oxoquinoline-3-carboxylic acid?
7-[2-(dimethylamino)ethoxy]-1-ethyl-6-iodo-4-oxoquinoline-3-carboxylic acid has a molecular weight of 430.24 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(dimethylamino)ethoxy]-1-ethyl-6-iodo-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 59617644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).