2-[2-methyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid

C22H26N2O3 — CID 22347541

IUPAC2-[2-methyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
SMILESCC1(c2ccc(OCCc3ccc4c(n3)NCCC4)cc2)CC1CC(=O)O
InChIInChI=1S/C22H26N2O3/c1-22(14-17(22)13-20(25)26)16-5-8-19(9-6-16)27-12-10-18-7-4-15-3-2-11-23-21(15)24-18/h4-9,17H,2-3,10-14H2,1H3,(H,23,24)(H,25,26)
InChIKeyQWFBDKQUFNWYSN-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.81
Rot. Bonds7

About 2-[2-methyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid

2-[2-methyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid (PubChem CID 22347541) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[2-methyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
PubChem CID22347541
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-[2-methyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
SMILESCC1(c2ccc(OCCc3ccc4c(n3)NCCC4)cc2)CC1CC(=O)O
InChIInChI=1S/C22H26N2O3/c1-22(14-17(22)13-20(25)26)16-5-8-19(9-6-16)27-12-10-18-7-4-15-3-2-11-23-21(15)24-18/h4-9,17H,2-3,10-14H2,1H3,(H,23,24)(H,25,26)
InChIKeyQWFBDKQUFNWYSN-UHFFFAOYSA-N
XLogP3.81
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[2-methyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid (CID 22347541) is 2-[2-methyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[2-methyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[2-methyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid is CC1(c2ccc(OCCc3ccc4c(n3)NCCC4)cc2)CC1CC(=O)O.
What is the InChIKey of 2-[2-methyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid?
The InChIKey is QWFBDKQUFNWYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-22(14-17(22)13-20(25)26)16-5-8-19(9-6-16)27-12-10-18-7-4-15-3-2-11-23-21(15)24-18/h4-9,17H,2-3,10-14H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-[2-methyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid?
2-[2-methyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid has a molecular weight of 366.46 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 22347541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).