2-[2-[2,3-difluoro-4-[2-(1,2,3,4-tetrahydroquinolin-7-yl)ethoxy]phenyl]cyclopropyl]acetic acid

C22H23F2NO3 — CID 20817442

IUPAC2-[2-[2,3-difluoro-4-[2-(1,2,3,4-tetrahydroquinolin-7-yl)ethoxy]phenyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1CC1c1ccc(OCCc2ccc3c(c2)NCCC3)c(F)c1F
InChIInChI=1S/C22H23F2NO3/c23-21-16(17-11-15(17)12-20(26)27)5-6-19(22(21)24)28-9-7-13-3-4-14-2-1-8-25-18(14)10-13/h3-6,10,15,17,25H,1-2,7-9,11-12H2,(H,26,27)
InChIKeySGRJHESMLNJVPQ-UHFFFAOYSA-N
MW387.43 g/mol
LogP4.52
Rot. Bonds7

About 2-[2-[2,3-difluoro-4-[2-(1,2,3,4-tetrahydroquinolin-7-yl)ethoxy]phenyl]cyclopropyl]acetic acid

2-[2-[2,3-difluoro-4-[2-(1,2,3,4-tetrahydroquinolin-7-yl)ethoxy]phenyl]cyclopropyl]acetic acid (PubChem CID 20817442) has the molecular formula C22H23F2NO3 and a molecular weight of 387.43 g/mol. Its IUPAC name is 2-[2-[2,3-difluoro-4-[2-(1,2,3,4-tetrahydroquinolin-7-yl)ethoxy]phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[2-[2,3-difluoro-4-[2-(1,2,3,4-tetrahydroquinolin-7-yl)ethoxy]phenyl]cyclopropyl]acetic acid
PubChem CID20817442
Molecular FormulaC22H23F2NO3
Molecular Weight387.43 g/mol
Exact Mass387.16
IUPAC Name2-[2-[2,3-difluoro-4-[2-(1,2,3,4-tetrahydroquinolin-7-yl)ethoxy]phenyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1CC1c1ccc(OCCc2ccc3c(c2)NCCC3)c(F)c1F
InChIInChI=1S/C22H23F2NO3/c23-21-16(17-11-15(17)12-20(26)27)5-6-19(22(21)24)28-9-7-13-3-4-14-2-1-8-25-18(14)10-13/h3-6,10,15,17,25H,1-2,7-9,11-12H2,(H,26,27)
InChIKeySGRJHESMLNJVPQ-UHFFFAOYSA-N
XLogP4.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2,3-difluoro-4-[2-(1,2,3,4-tetrahydroquinolin-7-yl)ethoxy]phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[2-[2,3-difluoro-4-[2-(1,2,3,4-tetrahydroquinolin-7-yl)ethoxy]phenyl]cyclopropyl]acetic acid (CID 20817442) is 2-[2-[2,3-difluoro-4-[2-(1,2,3,4-tetrahydroquinolin-7-yl)ethoxy]phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[2-[2,3-difluoro-4-[2-(1,2,3,4-tetrahydroquinolin-7-yl)ethoxy]phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[2-[2,3-difluoro-4-[2-(1,2,3,4-tetrahydroquinolin-7-yl)ethoxy]phenyl]cyclopropyl]acetic acid is O=C(O)CC1CC1c1ccc(OCCc2ccc3c(c2)NCCC3)c(F)c1F.
What is the InChIKey of 2-[2-[2,3-difluoro-4-[2-(1,2,3,4-tetrahydroquinolin-7-yl)ethoxy]phenyl]cyclopropyl]acetic acid?
The InChIKey is SGRJHESMLNJVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2NO3/c23-21-16(17-11-15(17)12-20(26)27)5-6-19(22(21)24)28-9-7-13-3-4-14-2-1-8-25-18(14)10-13/h3-6,10,15,17,25H,1-2,7-9,11-12H2,(H,26,27).
What are the key properties of 2-[2-[2,3-difluoro-4-[2-(1,2,3,4-tetrahydroquinolin-7-yl)ethoxy]phenyl]cyclopropyl]acetic acid?
2-[2-[2,3-difluoro-4-[2-(1,2,3,4-tetrahydroquinolin-7-yl)ethoxy]phenyl]cyclopropyl]acetic acid has a molecular weight of 387.43 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2,3-difluoro-4-[2-(1,2,3,4-tetrahydroquinolin-7-yl)ethoxy]phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 20817442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).