3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-[6-(trifluoromethyl)-2-pyridinyl]quinoline-2,6-diamine

C24H19F3N4 — CID 68914516

IUPAC3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-[6-(trifluoromethyl)-2-pyridinyl]quinoline-2,6-diamine
SMILESNc1nc2ccc(Nc3cccc(C(F)(F)F)n3)cc2cc1[C@@H]1CCc2ccccc21
InChIInChI=1S/C24H19F3N4/c25-24(26,27)21-6-3-7-22(31-21)29-16-9-11-20-15(12-16)13-19(23(28)30-20)18-10-8-14-4-1-2-5-17(14)18/h1-7,9,11-13,18H,8,10H2,(H2,28,30)(H,29,31)/t18-/m1/s1
InChIKeyPFEKIYUGAWPDTB-GOSISDBHSA-N
MW420.44 g/mol
LogP6.05
Rot. Bonds3

About 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-[6-(trifluoromethyl)-2-pyridinyl]quinoline-2,6-diamine

3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-[6-(trifluoromethyl)-2-pyridinyl]quinoline-2,6-diamine (PubChem CID 68914516) has the molecular formula C24H19F3N4 and a molecular weight of 420.44 g/mol. Its IUPAC name is 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-[6-(trifluoromethyl)-2-pyridinyl]quinoline-2,6-diamine.

Molecular Properties

Compound Name3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-[6-(trifluoromethyl)-2-pyridinyl]quinoline-2,6-diamine
PubChem CID68914516
Molecular FormulaC24H19F3N4
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC Name3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-[6-(trifluoromethyl)-2-pyridinyl]quinoline-2,6-diamine
SMILESNc1nc2ccc(Nc3cccc(C(F)(F)F)n3)cc2cc1[C@@H]1CCc2ccccc21
InChIInChI=1S/C24H19F3N4/c25-24(26,27)21-6-3-7-22(31-21)29-16-9-11-20-15(12-16)13-19(23(28)30-20)18-10-8-14-4-1-2-5-17(14)18/h1-7,9,11-13,18H,8,10H2,(H2,28,30)(H,29,31)/t18-/m1/s1
InChIKeyPFEKIYUGAWPDTB-GOSISDBHSA-N
XLogP6.05
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.44
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-[6-(trifluoromethyl)-2-pyridinyl]quinoline-2,6-diamine with MolForge

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Related Compounds

3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(5-methyl-1,2-oxazol-3-yl)quinoline-2,6-diamine
CID 68914930
3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(4-methylpyrimidin-2-yl)quinoline-2,6-diamine
CID 68918785
3-(2,3-dihydro-1H-inden-1-yl)-6-[2-(methylamino)ethyl]quinolin-2-amine
CID 68640200
[6-cyclopropyl-2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]hydrazine
CID 65404645
N-piperidin-4-yl-6-(trifluoromethyl)pyridin-2-amine;trihydrochloride
CID 86277771
6-N-[3-(trifluoromethyl)phenyl]pyridine-2,3,6-triamine
CID 79823431
2-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
CID 79791105
2-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrimidin-4-amine
CID 140627468
N-[(3R)-pyrrolidin-3-yl]-6-(trifluoromethyl)pyridin-2-amine
CID 94417648
2-[(1R)-2,3-dihydro-1H-inden-1-yl]phenol
CID 86317176
2-(2,3-dihydro-1H-inden-1-yl)-6-fluorophenol
CID 173126795
2-cyclopropyl-2-N-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine
CID 113283580

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-[6-(trifluoromethyl)-2-pyridinyl]quinoline-2,6-diamine?
The IUPAC name of 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-[6-(trifluoromethyl)-2-pyridinyl]quinoline-2,6-diamine (CID 68914516) is 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-[6-(trifluoromethyl)-2-pyridinyl]quinoline-2,6-diamine.
What is the SMILES notation for 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-[6-(trifluoromethyl)-2-pyridinyl]quinoline-2,6-diamine?
The canonical SMILES for 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-[6-(trifluoromethyl)-2-pyridinyl]quinoline-2,6-diamine is Nc1nc2ccc(Nc3cccc(C(F)(F)F)n3)cc2cc1[C@@H]1CCc2ccccc21.
What is the InChIKey of 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-[6-(trifluoromethyl)-2-pyridinyl]quinoline-2,6-diamine?
The InChIKey is PFEKIYUGAWPDTB-GOSISDBHSA-N. The full InChI is InChI=1S/C24H19F3N4/c25-24(26,27)21-6-3-7-22(31-21)29-16-9-11-20-15(12-16)13-19(23(28)30-20)18-10-8-14-4-1-2-5-17(14)18/h1-7,9,11-13,18H,8,10H2,(H2,28,30)(H,29,31)/t18-/m1/s1.
What are the key properties of 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-[6-(trifluoromethyl)-2-pyridinyl]quinoline-2,6-diamine?
3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-[6-(trifluoromethyl)-2-pyridinyl]quinoline-2,6-diamine has a molecular weight of 420.44 g/mol, XLogP of 6.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-[6-(trifluoromethyl)-2-pyridinyl]quinoline-2,6-diamine is sourced from PubChem (CID 68914516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).