2-[2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)phenoxy]ethanol;formic acid

C19H17ClFNO4 — CID 171339200

IUPAC2-[2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)phenoxy]ethanol;formic acid
SMILESCc1cc(-c2ccccc2OCCO)nc2cc(Cl)c(F)cc12.O=CO
InChIInChI=1S/C18H15ClFNO2.CH2O2/c1-11-8-16(12-4-2-3-5-18(12)23-7-6-22)21-17-10-14(19)15(20)9-13(11)17;2-1-3/h2-5,8-10,22H,6-7H2,1H3;1H,(H,2,3)
InChIKeyYQVZALZDCJRSDA-UHFFFAOYSA-N
MW377.80 g/mol
LogP4.07
Rot. Bonds4

About 2-[2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)phenoxy]ethanol;formic acid

2-[2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)phenoxy]ethanol;formic acid (PubChem CID 171339200) has the molecular formula C19H17ClFNO4 and a molecular weight of 377.80 g/mol. Its IUPAC name is 2-[2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)phenoxy]ethanol;formic acid.

Molecular Properties

Compound Name2-[2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)phenoxy]ethanol;formic acid
PubChem CID171339200
Molecular FormulaC19H17ClFNO4
Molecular Weight377.80 g/mol
Exact Mass377.08
IUPAC Name2-[2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)phenoxy]ethanol;formic acid
SMILESCc1cc(-c2ccccc2OCCO)nc2cc(Cl)c(F)cc12.O=CO
InChIInChI=1S/C18H15ClFNO2.CH2O2/c1-11-8-16(12-4-2-3-5-18(12)23-7-6-22)21-17-10-14(19)15(20)9-13(11)17;2-1-3/h2-5,8-10,22H,6-7H2,1H3;1H,(H,2,3)
InChIKeyYQVZALZDCJRSDA-UHFFFAOYSA-N
XLogP4.07
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.80
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)phenoxy]ethanol;formic acid?
The IUPAC name of 2-[2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)phenoxy]ethanol;formic acid (CID 171339200) is 2-[2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)phenoxy]ethanol;formic acid.
What is the SMILES notation for 2-[2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)phenoxy]ethanol;formic acid?
The canonical SMILES for 2-[2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)phenoxy]ethanol;formic acid is Cc1cc(-c2ccccc2OCCO)nc2cc(Cl)c(F)cc12.O=CO.
What is the InChIKey of 2-[2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)phenoxy]ethanol;formic acid?
The InChIKey is YQVZALZDCJRSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO2.CH2O2/c1-11-8-16(12-4-2-3-5-18(12)23-7-6-22)21-17-10-14(19)15(20)9-13(11)17;2-1-3/h2-5,8-10,22H,6-7H2,1H3;1H,(H,2,3).
What are the key properties of 2-[2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)phenoxy]ethanol;formic acid?
2-[2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)phenoxy]ethanol;formic acid has a molecular weight of 377.80 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(7-chloro-6-fluoro-4-methylquinolin-2-yl)phenoxy]ethanol;formic acid is sourced from PubChem (CID 171339200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).