2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid

C21H24N2O3 — CID 22347617

IUPAC2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1CC1c1cccc(OCCc2ccc3c(n2)NCCC3)c1
InChIInChI=1S/C21H24N2O3/c24-20(25)13-16-12-19(16)15-3-1-5-18(11-15)26-10-8-17-7-6-14-4-2-9-22-21(14)23-17/h1,3,5-7,11,16,19H,2,4,8-10,12-13H2,(H,22,23)(H,24,25)
InChIKeyOCTQRAGMJGKHHA-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.64
Rot. Bonds7

About 2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid

2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid (PubChem CID 22347617) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
PubChem CID22347617
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1CC1c1cccc(OCCc2ccc3c(n2)NCCC3)c1
InChIInChI=1S/C21H24N2O3/c24-20(25)13-16-12-19(16)15-3-1-5-18(11-15)26-10-8-17-7-6-14-4-2-9-22-21(14)23-17/h1,3,5-7,11,16,19H,2,4,8-10,12-13H2,(H,22,23)(H,24,25)
InChIKeyOCTQRAGMJGKHHA-UHFFFAOYSA-N
XLogP3.64
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid (CID 22347617) is 2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid is O=C(O)CC1CC1c1cccc(OCCc2ccc3c(n2)NCCC3)c1.
What is the InChIKey of 2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid?
The InChIKey is OCTQRAGMJGKHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-20(25)13-16-12-19(16)15-3-1-5-18(11-15)26-10-8-17-7-6-14-4-2-9-22-21(14)23-17/h1,3,5-7,11,16,19H,2,4,8-10,12-13H2,(H,22,23)(H,24,25).
What are the key properties of 2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid?
2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid has a molecular weight of 352.43 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 22347617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).