7-fluoro-2-(4-morpholin-4-ylbutanoyl)quinoline-4-carboxylic acid

C18H19FN2O4 — CID 157115862

IUPAC7-fluoro-2-(4-morpholin-4-ylbutanoyl)quinoline-4-carboxylic acid
SMILESO=C(CCCN1CCOCC1)c1cc(C(=O)O)c2ccc(F)cc2n1
InChIInChI=1S/C18H19FN2O4/c19-12-3-4-13-14(18(23)24)11-16(20-15(13)10-12)17(22)2-1-5-21-6-8-25-9-7-21/h3-4,10-11H,1-2,5-9H2,(H,23,24)
InChIKeyAHJXZGGQKOUJCM-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.37
Rot. Bonds6

About 7-fluoro-2-(4-morpholin-4-ylbutanoyl)quinoline-4-carboxylic acid

7-fluoro-2-(4-morpholin-4-ylbutanoyl)quinoline-4-carboxylic acid (PubChem CID 157115862) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is 7-fluoro-2-(4-morpholin-4-ylbutanoyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-2-(4-morpholin-4-ylbutanoyl)quinoline-4-carboxylic acid
PubChem CID157115862
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name7-fluoro-2-(4-morpholin-4-ylbutanoyl)quinoline-4-carboxylic acid
SMILESO=C(CCCN1CCOCC1)c1cc(C(=O)O)c2ccc(F)cc2n1
InChIInChI=1S/C18H19FN2O4/c19-12-3-4-13-14(18(23)24)11-16(20-15(13)10-12)17(22)2-1-5-21-6-8-25-9-7-21/h3-4,10-11H,1-2,5-9H2,(H,23,24)
InChIKeyAHJXZGGQKOUJCM-UHFFFAOYSA-N
XLogP2.37
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(4-morpholin-4-ylbutanoyl)quinoline-4-carboxylic acid?
The IUPAC name of 7-fluoro-2-(4-morpholin-4-ylbutanoyl)quinoline-4-carboxylic acid (CID 157115862) is 7-fluoro-2-(4-morpholin-4-ylbutanoyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 7-fluoro-2-(4-morpholin-4-ylbutanoyl)quinoline-4-carboxylic acid?
The canonical SMILES for 7-fluoro-2-(4-morpholin-4-ylbutanoyl)quinoline-4-carboxylic acid is O=C(CCCN1CCOCC1)c1cc(C(=O)O)c2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-2-(4-morpholin-4-ylbutanoyl)quinoline-4-carboxylic acid?
The InChIKey is AHJXZGGQKOUJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c19-12-3-4-13-14(18(23)24)11-16(20-15(13)10-12)17(22)2-1-5-21-6-8-25-9-7-21/h3-4,10-11H,1-2,5-9H2,(H,23,24).
What are the key properties of 7-fluoro-2-(4-morpholin-4-ylbutanoyl)quinoline-4-carboxylic acid?
7-fluoro-2-(4-morpholin-4-ylbutanoyl)quinoline-4-carboxylic acid has a molecular weight of 346.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(4-morpholin-4-ylbutanoyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 157115862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).