5-cyclohexyl-7-(3-fluoro-5-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid

C22H25FN2O2 — CID 150204771

IUPAC5-cyclohexyl-7-(3-fluoro-5-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
SMILESCc1cc(F)cc(N2Cc3cnc(C(=O)O)cc3C(C3CCCCC3)C2)c1
InChIInChI=1S/C22H25FN2O2/c1-14-7-17(23)9-18(8-14)25-12-16-11-24-21(22(26)27)10-19(16)20(13-25)15-5-3-2-4-6-15/h7-11,15,20H,2-6,12-13H2,1H3,(H,26,27)
InChIKeyFQGCZSWJLSCQIO-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.91
Rot. Bonds3

About 5-cyclohexyl-7-(3-fluoro-5-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid

5-cyclohexyl-7-(3-fluoro-5-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid (PubChem CID 150204771) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 5-cyclohexyl-7-(3-fluoro-5-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclohexyl-7-(3-fluoro-5-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
PubChem CID150204771
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name5-cyclohexyl-7-(3-fluoro-5-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid
SMILESCc1cc(F)cc(N2Cc3cnc(C(=O)O)cc3C(C3CCCCC3)C2)c1
InChIInChI=1S/C22H25FN2O2/c1-14-7-17(23)9-18(8-14)25-12-16-11-24-21(22(26)27)10-19(16)20(13-25)15-5-3-2-4-6-15/h7-11,15,20H,2-6,12-13H2,1H3,(H,26,27)
InChIKeyFQGCZSWJLSCQIO-UHFFFAOYSA-N
XLogP4.91
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-7-(3-fluoro-5-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
The IUPAC name of 5-cyclohexyl-7-(3-fluoro-5-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid (CID 150204771) is 5-cyclohexyl-7-(3-fluoro-5-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclohexyl-7-(3-fluoro-5-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclohexyl-7-(3-fluoro-5-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid is Cc1cc(F)cc(N2Cc3cnc(C(=O)O)cc3C(C3CCCCC3)C2)c1.
What is the InChIKey of 5-cyclohexyl-7-(3-fluoro-5-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
The InChIKey is FQGCZSWJLSCQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-14-7-17(23)9-18(8-14)25-12-16-11-24-21(22(26)27)10-19(16)20(13-25)15-5-3-2-4-6-15/h7-11,15,20H,2-6,12-13H2,1H3,(H,26,27).
What are the key properties of 5-cyclohexyl-7-(3-fluoro-5-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid?
5-cyclohexyl-7-(3-fluoro-5-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid has a molecular weight of 368.45 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-7-(3-fluoro-5-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 150204771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).