4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2-dihydro-1,8-naphthyridine;4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

C32H28F6N4 — CID 161313515

IUPAC4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2-dihydro-1,8-naphthyridine;4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCC1=CCNc2nc(-c3cccc(C(F)(F)F)c3)ccc21.CC1CCNc2nc(-c3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C16H15F3N2.C16H13F3N2/c2*1-10-7-8-20-15-13(10)5-6-14(21-15)11-3-2-4-12(9-11)16(17,18)19/h2-6,9-10H,7-8H2,1H3,(H,20,21);2-7,9H,8H2,1H3,(H,20,21)
InChIKeyVJEWPULCFUAOIH-UHFFFAOYSA-N
MW582.59 g/mol
LogP9.28
Rot. Bonds2

About 4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2-dihydro-1,8-naphthyridine;4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2-dihydro-1,8-naphthyridine;4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 161313515) has the molecular formula C32H28F6N4 and a molecular weight of 582.59 g/mol. Its IUPAC name is 4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2-dihydro-1,8-naphthyridine;4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2-dihydro-1,8-naphthyridine;4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID161313515
Molecular FormulaC32H28F6N4
Molecular Weight582.59 g/mol
Exact Mass582.22
IUPAC Name4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2-dihydro-1,8-naphthyridine;4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCC1=CCNc2nc(-c3cccc(C(F)(F)F)c3)ccc21.CC1CCNc2nc(-c3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C16H15F3N2.C16H13F3N2/c2*1-10-7-8-20-15-13(10)5-6-14(21-15)11-3-2-4-12(9-11)16(17,18)19/h2-6,9-10H,7-8H2,1H3,(H,20,21);2-7,9H,8H2,1H3,(H,20,21)
InChIKeyVJEWPULCFUAOIH-UHFFFAOYSA-N
XLogP9.28
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.59
LogP ≤ 59.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2-dihydro-1,8-naphthyridine;4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-1,8-naphthyridine with MolForge

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Related Compounds

1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]-piperidine-4-carboxylic Acid Piperidin-4-ylamide
CID 46900230
N-cyclohexyl-4-methylquinolin-2-amine
CID 777799
6-(2-{5-Fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine
CID 134686798
6-Piperazin-1-yl-7,8,9,10-tetrahydro-phenanthridine
CID 399481
6-methyl-N-(naphthalen-1-ylmethyl)pyridin-2-amine
CID 975769
N-(cyclohexylmethyl)-4-methylquinolin-2-amine
CID 4826143
7-(4-Phenylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine
CID 2764724
N-[(1S)-1-phenylethyl]-4-[6-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]pyridin-2-amine
CID 9914027
N1-(7-(3-(trifluoromethyl)phenyl)-1,6-naphthyridin-5-yl)propane-1,3-diamine
CID 10150032
N-(4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)quinolin-2-amine
CID 11590801
N-(4-methylquinolin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
CID 53257121
6-[3-(2-aminoethyl)phenyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine
CID 56948983

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2-dihydro-1,8-naphthyridine;4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2-dihydro-1,8-naphthyridine;4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 161313515) is 4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2-dihydro-1,8-naphthyridine;4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2-dihydro-1,8-naphthyridine;4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2-dihydro-1,8-naphthyridine;4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is CC1=CCNc2nc(-c3cccc(C(F)(F)F)c3)ccc21.CC1CCNc2nc(-c3cccc(C(F)(F)F)c3)ccc21.
What is the InChIKey of 4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2-dihydro-1,8-naphthyridine;4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is VJEWPULCFUAOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2.C16H13F3N2/c2*1-10-7-8-20-15-13(10)5-6-14(21-15)11-3-2-4-12(9-11)16(17,18)19/h2-6,9-10H,7-8H2,1H3,(H,20,21);2-7,9H,8H2,1H3,(H,20,21).
What are the key properties of 4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2-dihydro-1,8-naphthyridine;4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2-dihydro-1,8-naphthyridine;4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 582.59 g/mol, XLogP of 9.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2-dihydro-1,8-naphthyridine;4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 161313515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).