2-amino-7-[(3-phenyl-2-pyridinyl)oxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C22H20N2O3 — CID 169210305

IUPAC2-amino-7-[(3-phenyl-2-pyridinyl)oxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESNC1(C(=O)O)CCc2ccc(Oc3ncccc3-c3ccccc3)cc2C1
InChIInChI=1S/C22H20N2O3/c23-22(21(25)26)11-10-15-8-9-18(13-17(15)14-22)27-20-19(7-4-12-24-20)16-5-2-1-3-6-16/h1-9,12-13H,10-11,14,23H2,(H,25,26)
InChIKeyIMQAICXHYVBVPK-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.81
Rot. Bonds4

About 2-amino-7-[(3-phenyl-2-pyridinyl)oxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid

2-amino-7-[(3-phenyl-2-pyridinyl)oxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 169210305) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-amino-7-[(3-phenyl-2-pyridinyl)oxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-7-[(3-phenyl-2-pyridinyl)oxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID169210305
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name2-amino-7-[(3-phenyl-2-pyridinyl)oxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESNC1(C(=O)O)CCc2ccc(Oc3ncccc3-c3ccccc3)cc2C1
InChIInChI=1S/C22H20N2O3/c23-22(21(25)26)11-10-15-8-9-18(13-17(15)14-22)27-20-19(7-4-12-24-20)16-5-2-1-3-6-16/h1-9,12-13H,10-11,14,23H2,(H,25,26)
InChIKeyIMQAICXHYVBVPK-UHFFFAOYSA-N
XLogP3.81
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-7-(2-pyridin-2-ylphenoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 169210210
2-amino-7-naphthalen-2-yloxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 169210308
2-amino-7-[2-(3-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride
CID 174107704
2-amino-7-anthracen-2-yloxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride
CID 174107867
2-amino-6-(4-pyridin-3-ylphenoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid;dihydrochloride
CID 174107814
2-amino-7-[2-(2,3,4,5,6-pentafluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 169210392
2-amino-7-[2-(3-ethylphenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 169210342
2-amino-7-(2-naphthalen-1-ylphenoxy)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 169210271
2-amino-7-[2-(3,4-difluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride
CID 174107703
2-amino-7-[2-(3-chloro-4-fluorophenyl)phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride
CID 174107896
2-amino-7-[3-[3-(trifluoromethyl)phenyl]phenoxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrochloride
CID 174107813
2-amino-7-(6-fluoronaphthalen-2-yl)oxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 169210418

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(3-phenyl-2-pyridinyl)oxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 2-amino-7-[(3-phenyl-2-pyridinyl)oxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 169210305) is 2-amino-7-[(3-phenyl-2-pyridinyl)oxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 2-amino-7-[(3-phenyl-2-pyridinyl)oxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 2-amino-7-[(3-phenyl-2-pyridinyl)oxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid is NC1(C(=O)O)CCc2ccc(Oc3ncccc3-c3ccccc3)cc2C1.
What is the InChIKey of 2-amino-7-[(3-phenyl-2-pyridinyl)oxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is IMQAICXHYVBVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c23-22(21(25)26)11-10-15-8-9-18(13-17(15)14-22)27-20-19(7-4-12-24-20)16-5-2-1-3-6-16/h1-9,12-13H,10-11,14,23H2,(H,25,26).
What are the key properties of 2-amino-7-[(3-phenyl-2-pyridinyl)oxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
2-amino-7-[(3-phenyl-2-pyridinyl)oxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 360.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[(3-phenyl-2-pyridinyl)oxy]-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 169210305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).