1-(2-methylpropyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine

C19H21F3N2 — CID 175276666

IUPAC1-(2-methylpropyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine
SMILESCC(C)CN1CCCc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C19H21F3N2/c1-13(2)12-24-10-4-6-14-8-9-17(23-18(14)24)15-5-3-7-16(11-15)19(20,21)22/h3,5,7-9,11,13H,4,6,10,12H2,1-2H3
InChIKeyDXRILGOKTNVFJH-UHFFFAOYSA-N
MW334.39 g/mol
LogP5.18
Rot. Bonds3

About 1-(2-methylpropyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine

1-(2-methylpropyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine (PubChem CID 175276666) has the molecular formula C19H21F3N2 and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-(2-methylpropyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine.

Molecular Properties

Compound Name1-(2-methylpropyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine
PubChem CID175276666
Molecular FormulaC19H21F3N2
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name1-(2-methylpropyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine
SMILESCC(C)CN1CCCc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C19H21F3N2/c1-13(2)12-24-10-4-6-14-8-9-17(23-18(14)24)15-5-3-7-16(11-15)19(20,21)22/h3,5,7-9,11,13H,4,6,10,12H2,1-2H3
InChIKeyDXRILGOKTNVFJH-UHFFFAOYSA-N
XLogP5.18
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.39
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethyl-4-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 53233781
tert-butyl 7-chloro-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 158840440
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408
2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 67438172
2-methyl-4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 3253525
2-[3-(1,1-difluoroethyl)phenyl]-5,10-dimethyl-6,7,8,9-tetrahydropyrido[2,3-b][1,4]diazocine
CID 137401168
2-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80935689
4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 11267697
5-methyl-2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117155802
1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 43328598
4-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-8-ol
CID 155517830
1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 83216484

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine?
The IUPAC name of 1-(2-methylpropyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine (CID 175276666) is 1-(2-methylpropyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine.
What is the SMILES notation for 1-(2-methylpropyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine?
The canonical SMILES for 1-(2-methylpropyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine is CC(C)CN1CCCc2ccc(-c3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of 1-(2-methylpropyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine?
The InChIKey is DXRILGOKTNVFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2/c1-13(2)12-24-10-4-6-14-8-9-17(23-18(14)24)15-5-3-7-16(11-15)19(20,21)22/h3,5,7-9,11,13H,4,6,10,12H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine?
1-(2-methylpropyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine has a molecular weight of 334.39 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine is sourced from PubChem (CID 175276666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).