5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-(oxan-4-yl)-1,8-naphthyridine

C21H20ClFN2O — CID 166121652

IUPAC5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-(oxan-4-yl)-1,8-naphthyridine
SMILESCc1cc2c(-c3ccc(Cl)cc3F)cc(C3CCOCC3)nc2nc1C
InChIInChI=1S/C21H20ClFN2O/c1-12-9-18-17(16-4-3-15(22)10-19(16)23)11-20(14-5-7-26-8-6-14)25-21(18)24-13(12)2/h3-4,9-11,14H,5-8H2,1-2H3
InChIKeyXZTGTIOPPUXOSB-UHFFFAOYSA-N
MW370.86 g/mol
LogP5.60
Rot. Bonds2

About 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-(oxan-4-yl)-1,8-naphthyridine

5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-(oxan-4-yl)-1,8-naphthyridine (PubChem CID 166121652) has the molecular formula C21H20ClFN2O and a molecular weight of 370.86 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-(oxan-4-yl)-1,8-naphthyridine.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-(oxan-4-yl)-1,8-naphthyridine
PubChem CID166121652
Molecular FormulaC21H20ClFN2O
Molecular Weight370.86 g/mol
Exact Mass370.12
IUPAC Name5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-(oxan-4-yl)-1,8-naphthyridine
SMILESCc1cc2c(-c3ccc(Cl)cc3F)cc(C3CCOCC3)nc2nc1C
InChIInChI=1S/C21H20ClFN2O/c1-12-9-18-17(16-4-3-15(22)10-19(16)23)11-20(14-5-7-26-8-6-14)25-21(18)24-13(12)2/h3-4,9-11,14H,5-8H2,1-2H3
InChIKeyXZTGTIOPPUXOSB-UHFFFAOYSA-N
XLogP5.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.86
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(4-chloro-2-fluorophenyl)-3-methyl-6-(oxan-4-yl)pyrido[2,3-b]pyrazine
CID 157044867
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2S,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine
CID 157045878
4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pyrido[2,3-d]pyrimidine;2-methylpyridine
CID 157044570
4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidine;1-cyclopropylpyrazole;oxane
CID 166122275
4-(4-chloro-2-fluorophenyl)-2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpyrido[2,3-d]pyrimidine
CID 157044857
4-(4-chloro-2-fluorophenyl)-2-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpyrido[2,3-d]pyrimidine
CID 157045736
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4S)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine
CID 174195438
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4R,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine
CID 157045092
8-(4-chloro-2-fluorophenyl)-3-methyl-6-[(2R,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine
CID 157044351
4-(4-chloro-2-fluorophenyl)-2-cyclohexyl-6,7-dimethylpteridine
CID 166122261
8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,4S,6S)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine
CID 157044366
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(2-methylpyrimidin-5-yl)morpholine
CID 157045322

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-(oxan-4-yl)-1,8-naphthyridine?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-(oxan-4-yl)-1,8-naphthyridine (CID 166121652) is 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-(oxan-4-yl)-1,8-naphthyridine.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-(oxan-4-yl)-1,8-naphthyridine?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-(oxan-4-yl)-1,8-naphthyridine is Cc1cc2c(-c3ccc(Cl)cc3F)cc(C3CCOCC3)nc2nc1C.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-(oxan-4-yl)-1,8-naphthyridine?
The InChIKey is XZTGTIOPPUXOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN2O/c1-12-9-18-17(16-4-3-15(22)10-19(16)23)11-20(14-5-7-26-8-6-14)25-21(18)24-13(12)2/h3-4,9-11,14H,5-8H2,1-2H3.
What are the key properties of 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-(oxan-4-yl)-1,8-naphthyridine?
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-(oxan-4-yl)-1,8-naphthyridine has a molecular weight of 370.86 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-(oxan-4-yl)-1,8-naphthyridine is sourced from PubChem (CID 166121652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).