1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid

C16H18N2O4 — CID 141190200

IUPAC1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(N3CCOCC3)ccc21
InChIInChI=1S/C16H18N2O4/c1-2-17-10-13(16(20)21)15(19)12-9-11(3-4-14(12)17)18-5-7-22-8-6-18/h3-4,9-10H,2,5-8H2,1H3,(H,20,21)
InChIKeyMUWMLBASVWIJDV-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.56
Rot. Bonds3

About 1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid

1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid (PubChem CID 141190200) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid
PubChem CID141190200
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(N3CCOCC3)ccc21
InChIInChI=1S/C16H18N2O4/c1-2-17-10-13(16(20)21)15(19)12-9-11(3-4-14(12)17)18-5-7-22-8-6-18/h3-4,9-10H,2,5-8H2,1H3,(H,20,21)
InChIKeyMUWMLBASVWIJDV-UHFFFAOYSA-N
XLogP1.56
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid (CID 141190200) is 1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(N3CCOCC3)ccc21.
What is the InChIKey of 1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is MUWMLBASVWIJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-2-17-10-13(16(20)21)15(19)12-9-11(3-4-14(12)17)18-5-7-22-8-6-18/h3-4,9-10H,2,5-8H2,1H3,(H,20,21).
What are the key properties of 1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid?
1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 141190200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).