2-[2-[[2-chloro-3-(2-fluorophenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol

C23H22ClFN2O2 — CID 171633438

IUPAC2-[2-[[2-chloro-3-(2-fluorophenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol
SMILESOCCN1CCc2nc(OCc3cccc(-c4ccccc4F)c3Cl)ccc2C1
InChIInChI=1S/C23H22ClFN2O2/c24-23-17(4-3-6-19(23)18-5-1-2-7-20(18)25)15-29-22-9-8-16-14-27(12-13-28)11-10-21(16)26-22/h1-9,28H,10-15H2
InChIKeyJIEPZKQQGIDGJH-UHFFFAOYSA-N
MW412.89 g/mol
LogP4.47
Rot. Bonds6

About 2-[2-[[2-chloro-3-(2-fluorophenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol

2-[2-[[2-chloro-3-(2-fluorophenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol (PubChem CID 171633438) has the molecular formula C23H22ClFN2O2 and a molecular weight of 412.89 g/mol. Its IUPAC name is 2-[2-[[2-chloro-3-(2-fluorophenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol.

Molecular Properties

Compound Name2-[2-[[2-chloro-3-(2-fluorophenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol
PubChem CID171633438
Molecular FormulaC23H22ClFN2O2
Molecular Weight412.89 g/mol
Exact Mass412.14
IUPAC Name2-[2-[[2-chloro-3-(2-fluorophenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol
SMILESOCCN1CCc2nc(OCc3cccc(-c4ccccc4F)c3Cl)ccc2C1
InChIInChI=1S/C23H22ClFN2O2/c24-23-17(4-3-6-19(23)18-5-1-2-7-20(18)25)15-29-22-9-8-16-14-27(12-13-28)11-10-21(16)26-22/h1-9,28H,10-15H2
InChIKeyJIEPZKQQGIDGJH-UHFFFAOYSA-N
XLogP4.47
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.89
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[2-chloro-3-(2-fluorophenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol with MolForge

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Related Compounds

2-[2-[(2-methyl-3-phenylphenyl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol
CID 171633424
N-[2-chloro-3-(3-chloro-2-fluorophenyl)phenyl]-6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
CID 177381025
(3S)-1-[[6-[[2-chloro-3-[2-chloro-3-[[5-[[(3S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-6-methoxy-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-2-methoxy-3-pyridinyl]methyl]pyrrolidine-3,4-diol
CID 154947234
6-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928924
3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one
CID 163338737
2-[(3-fluoro-2-pyridinyl)methoxy]-5,6,7,8-tetrahydroquinoline
CID 141400147
2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol
CID 72547397
4-[6-[[2-chloro-3-[2-chloro-3-[[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]oxymethyl]phenyl]phenyl]methoxy]-2-methoxy-3-pyridinyl]butan-1-ol
CID 162177386
6-[(2,3-dichlorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928210
6-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929242
3-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-chlorophenol
CID 24929118
1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-fluorophenyl)ethanone
CID 91917834

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-chloro-3-(2-fluorophenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol?
The IUPAC name of 2-[2-[[2-chloro-3-(2-fluorophenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol (CID 171633438) is 2-[2-[[2-chloro-3-(2-fluorophenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol.
What is the SMILES notation for 2-[2-[[2-chloro-3-(2-fluorophenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol?
The canonical SMILES for 2-[2-[[2-chloro-3-(2-fluorophenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol is OCCN1CCc2nc(OCc3cccc(-c4ccccc4F)c3Cl)ccc2C1.
What is the InChIKey of 2-[2-[[2-chloro-3-(2-fluorophenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol?
The InChIKey is JIEPZKQQGIDGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O2/c24-23-17(4-3-6-19(23)18-5-1-2-7-20(18)25)15-29-22-9-8-16-14-27(12-13-28)11-10-21(16)26-22/h1-9,28H,10-15H2.
What are the key properties of 2-[2-[[2-chloro-3-(2-fluorophenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol?
2-[2-[[2-chloro-3-(2-fluorophenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol has a molecular weight of 412.89 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-chloro-3-(2-fluorophenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol is sourced from PubChem (CID 171633438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).