2-[1-[[2-(dimethylamino)-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazol-4-yl]-1,1,1-trifluorobutan-2-ol

C24H23F4N5O — CID 24872829

IUPAC2-[1-[[2-(dimethylamino)-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazol-4-yl]-1,1,1-trifluorobutan-2-ol
SMILESCCC(O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(N(C)C)nc3c2)nn1)C(F)(F)F
InChIInChI=1S/C24H23F4N5O/c1-4-23(34,24(26,27)28)21-14-33(31-30-21)13-15-5-10-18-19(16-6-8-17(25)9-7-16)12-22(32(2)3)29-20(18)11-15/h5-12,14,34H,4,13H2,1-3H3
InChIKeyOXIDEUVOGRBXFL-UHFFFAOYSA-N
MW473.47 g/mol
LogP4.91
Rot. Bonds6

About 2-[1-[[2-(dimethylamino)-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazol-4-yl]-1,1,1-trifluorobutan-2-ol

2-[1-[[2-(dimethylamino)-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazol-4-yl]-1,1,1-trifluorobutan-2-ol (PubChem CID 24872829) has the molecular formula C24H23F4N5O and a molecular weight of 473.47 g/mol. Its IUPAC name is 2-[1-[[2-(dimethylamino)-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazol-4-yl]-1,1,1-trifluorobutan-2-ol.

Molecular Properties

Compound Name2-[1-[[2-(dimethylamino)-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazol-4-yl]-1,1,1-trifluorobutan-2-ol
PubChem CID24872829
Molecular FormulaC24H23F4N5O
Molecular Weight473.47 g/mol
Exact Mass473.18
IUPAC Name2-[1-[[2-(dimethylamino)-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazol-4-yl]-1,1,1-trifluorobutan-2-ol
SMILESCCC(O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(N(C)C)nc3c2)nn1)C(F)(F)F
InChIInChI=1S/C24H23F4N5O/c1-4-23(34,24(26,27)28)21-14-33(31-30-21)13-15-5-10-18-19(16-6-8-17(25)9-7-16)12-22(32(2)3)29-20(18)11-15/h5-12,14,34H,4,13H2,1-3H3
InChIKeyOXIDEUVOGRBXFL-UHFFFAOYSA-N
XLogP4.91
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1,1,1-trifluoro-2-[1-[[4-(4-fluorophenyl)-2-methylsulfanylquinolin-7-yl]methyl]triazol-4-yl]butan-2-ol
CID 66790511
4-(4-fluorophenyl)-7-[[4-[(2S)-1,1,1-trifluoro-2-hydroxybutan-2-yl]triazol-1-yl]methyl]quinoline-2-carbonitrile
CID 67241683
(2S)-1,1,1-trifluoro-2-[1-[[4-(4-fluorophenyl)-2-(1-methoxyethyl)quinolin-7-yl]methyl]triazol-4-yl]butan-2-ol
CID 66790303
(2S)-1,1,1-trifluoro-2-[1-[[4-(4-fluorophenyl)-2-morpholin-4-ylquinolin-7-yl]methyl]triazol-4-yl]butan-2-ol
CID 66790353
1,1,1-trifluoro-2-[1-[(4-phenylquinolin-7-yl)methyl]triazol-4-yl]butan-2-ol
CID 141217153
2-[1-[[4-(3,4-difluorophenyl)quinolin-7-yl]methyl]triazol-4-yl]-1,1,1-trifluorobutan-2-ol
CID 141339724
4-(3-chlorophenyl)-7-[[4-[(2S)-1,1,1-trifluoro-2-hydroxybutan-2-yl]triazol-1-yl]methyl]quinoline-2-carboxamide
CID 66790869
4-(4-chlorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxypentan-2-yl)triazol-1-yl]methyl]quinoline-2-carboxamide
CID 123878096
4-phenyl-7-[[4-[(2S)-1,1,1-trifluoro-2-hydroxybutan-2-yl]triazol-1-yl]methyl]chromen-2-one
CID 25056111
4-(2-methyl-1,3-oxazol-4-yl)-7-[[4-[(2S)-1,1,1-trifluoro-2-hydroxybutan-2-yl]triazol-1-yl]methyl]quinoline-2-carbonitrile
CID 66790903
3-chloro-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]-1-benzothiophene-2-carboxylate
CID 154214552
1,1,1-trifluoro-2-[3-[[4-(4-fluorophenyl)-2-methylsulfonylquinolin-7-yl]methyl]-1,2-dihydrotriazol-5-yl]butan-2-ol
CID 71072630

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(dimethylamino)-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazol-4-yl]-1,1,1-trifluorobutan-2-ol?
The IUPAC name of 2-[1-[[2-(dimethylamino)-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazol-4-yl]-1,1,1-trifluorobutan-2-ol (CID 24872829) is 2-[1-[[2-(dimethylamino)-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazol-4-yl]-1,1,1-trifluorobutan-2-ol.
What is the SMILES notation for 2-[1-[[2-(dimethylamino)-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazol-4-yl]-1,1,1-trifluorobutan-2-ol?
The canonical SMILES for 2-[1-[[2-(dimethylamino)-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazol-4-yl]-1,1,1-trifluorobutan-2-ol is CCC(O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(N(C)C)nc3c2)nn1)C(F)(F)F.
What is the InChIKey of 2-[1-[[2-(dimethylamino)-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazol-4-yl]-1,1,1-trifluorobutan-2-ol?
The InChIKey is OXIDEUVOGRBXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N5O/c1-4-23(34,24(26,27)28)21-14-33(31-30-21)13-15-5-10-18-19(16-6-8-17(25)9-7-16)12-22(32(2)3)29-20(18)11-15/h5-12,14,34H,4,13H2,1-3H3.
What are the key properties of 2-[1-[[2-(dimethylamino)-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazol-4-yl]-1,1,1-trifluorobutan-2-ol?
2-[1-[[2-(dimethylamino)-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazol-4-yl]-1,1,1-trifluorobutan-2-ol has a molecular weight of 473.47 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(dimethylamino)-4-(4-fluorophenyl)quinolin-7-yl]methyl]triazol-4-yl]-1,1,1-trifluorobutan-2-ol is sourced from PubChem (CID 24872829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).