2-(6-fluoro-2-methyl-4-morpholin-4-ylquinolin-3-yl)acetic acid

C16H17FN2O3 — CID 110434147

IUPAC2-(6-fluoro-2-methyl-4-morpholin-4-ylquinolin-3-yl)acetic acid
SMILESCc1nc2ccc(F)cc2c(N2CCOCC2)c1CC(=O)O
InChIInChI=1S/C16H17FN2O3/c1-10-12(9-15(20)21)16(19-4-6-22-7-5-19)13-8-11(17)2-3-14(13)18-10/h2-3,8H,4-7,9H2,1H3,(H,20,21)
InChIKeyZDACVTALESRBOL-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.15
Rot. Bonds3

About 2-(6-fluoro-2-methyl-4-morpholin-4-ylquinolin-3-yl)acetic acid

2-(6-fluoro-2-methyl-4-morpholin-4-ylquinolin-3-yl)acetic acid (PubChem CID 110434147) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-(6-fluoro-2-methyl-4-morpholin-4-ylquinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-fluoro-2-methyl-4-morpholin-4-ylquinolin-3-yl)acetic acid
PubChem CID110434147
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name2-(6-fluoro-2-methyl-4-morpholin-4-ylquinolin-3-yl)acetic acid
SMILESCc1nc2ccc(F)cc2c(N2CCOCC2)c1CC(=O)O
InChIInChI=1S/C16H17FN2O3/c1-10-12(9-15(20)21)16(19-4-6-22-7-5-19)13-8-11(17)2-3-14(13)18-10/h2-3,8H,4-7,9H2,1H3,(H,20,21)
InChIKeyZDACVTALESRBOL-UHFFFAOYSA-N
XLogP2.15
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-methyl-4-morpholin-4-ylquinolin-3-yl)acetic acid?
The IUPAC name of 2-(6-fluoro-2-methyl-4-morpholin-4-ylquinolin-3-yl)acetic acid (CID 110434147) is 2-(6-fluoro-2-methyl-4-morpholin-4-ylquinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(6-fluoro-2-methyl-4-morpholin-4-ylquinolin-3-yl)acetic acid?
The canonical SMILES for 2-(6-fluoro-2-methyl-4-morpholin-4-ylquinolin-3-yl)acetic acid is Cc1nc2ccc(F)cc2c(N2CCOCC2)c1CC(=O)O.
What is the InChIKey of 2-(6-fluoro-2-methyl-4-morpholin-4-ylquinolin-3-yl)acetic acid?
The InChIKey is ZDACVTALESRBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-10-12(9-15(20)21)16(19-4-6-22-7-5-19)13-8-11(17)2-3-14(13)18-10/h2-3,8H,4-7,9H2,1H3,(H,20,21).
What are the key properties of 2-(6-fluoro-2-methyl-4-morpholin-4-ylquinolin-3-yl)acetic acid?
2-(6-fluoro-2-methyl-4-morpholin-4-ylquinolin-3-yl)acetic acid has a molecular weight of 304.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-methyl-4-morpholin-4-ylquinolin-3-yl)acetic acid is sourced from PubChem (CID 110434147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).