2-[7-(3-hydroxy-3-methylcyclobutyl)-1,8-naphthyridin-2-yl]-3,5-dimethylphenol

C21H22N2O2 — CID 171085595

IUPAC2-[7-(3-hydroxy-3-methylcyclobutyl)-1,8-naphthyridin-2-yl]-3,5-dimethylphenol
SMILESCc1cc(C)c(-c2ccc3ccc(C4CC(C)(O)C4)nc3n2)c(O)c1
InChIInChI=1S/C21H22N2O2/c1-12-8-13(2)19(18(24)9-12)17-7-5-14-4-6-16(22-20(14)23-17)15-10-21(3,25)11-15/h4-9,15,24-25H,10-11H2,1-3H3
InChIKeyPWZATVXEKBSRSF-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.25
Rot. Bonds2

About 2-[7-(3-hydroxy-3-methylcyclobutyl)-1,8-naphthyridin-2-yl]-3,5-dimethylphenol

2-[7-(3-hydroxy-3-methylcyclobutyl)-1,8-naphthyridin-2-yl]-3,5-dimethylphenol (PubChem CID 171085595) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[7-(3-hydroxy-3-methylcyclobutyl)-1,8-naphthyridin-2-yl]-3,5-dimethylphenol.

Molecular Properties

Compound Name2-[7-(3-hydroxy-3-methylcyclobutyl)-1,8-naphthyridin-2-yl]-3,5-dimethylphenol
PubChem CID171085595
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-[7-(3-hydroxy-3-methylcyclobutyl)-1,8-naphthyridin-2-yl]-3,5-dimethylphenol
SMILESCc1cc(C)c(-c2ccc3ccc(C4CC(C)(O)C4)nc3n2)c(O)c1
InChIInChI=1S/C21H22N2O2/c1-12-8-13(2)19(18(24)9-12)17-7-5-14-4-6-16(22-20(14)23-17)15-10-21(3,25)11-15/h4-9,15,24-25H,10-11H2,1-3H3
InChIKeyPWZATVXEKBSRSF-UHFFFAOYSA-N
XLogP4.25
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(3-hydroxy-3-methylcyclobutyl)-1,8-naphthyridin-2-yl]-3,5-dimethylphenol?
The IUPAC name of 2-[7-(3-hydroxy-3-methylcyclobutyl)-1,8-naphthyridin-2-yl]-3,5-dimethylphenol (CID 171085595) is 2-[7-(3-hydroxy-3-methylcyclobutyl)-1,8-naphthyridin-2-yl]-3,5-dimethylphenol.
What is the SMILES notation for 2-[7-(3-hydroxy-3-methylcyclobutyl)-1,8-naphthyridin-2-yl]-3,5-dimethylphenol?
The canonical SMILES for 2-[7-(3-hydroxy-3-methylcyclobutyl)-1,8-naphthyridin-2-yl]-3,5-dimethylphenol is Cc1cc(C)c(-c2ccc3ccc(C4CC(C)(O)C4)nc3n2)c(O)c1.
What is the InChIKey of 2-[7-(3-hydroxy-3-methylcyclobutyl)-1,8-naphthyridin-2-yl]-3,5-dimethylphenol?
The InChIKey is PWZATVXEKBSRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-12-8-13(2)19(18(24)9-12)17-7-5-14-4-6-16(22-20(14)23-17)15-10-21(3,25)11-15/h4-9,15,24-25H,10-11H2,1-3H3.
What are the key properties of 2-[7-(3-hydroxy-3-methylcyclobutyl)-1,8-naphthyridin-2-yl]-3,5-dimethylphenol?
2-[7-(3-hydroxy-3-methylcyclobutyl)-1,8-naphthyridin-2-yl]-3,5-dimethylphenol has a molecular weight of 334.42 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3-hydroxy-3-methylcyclobutyl)-1,8-naphthyridin-2-yl]-3,5-dimethylphenol is sourced from PubChem (CID 171085595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).