[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-diethylimidazol-4-yl)methanol

C26H25ClF3N3O2 — CID 118026114

IUPAC[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-diethylimidazol-4-yl)methanol
SMILESCCc1ncc(C(O)c2ccc3nc(OC)c(Cc4ccc(C(F)(F)F)cc4)c(Cl)c3c2)n1CC
InChIInChI=1S/C26H25ClF3N3O2/c1-4-22-31-14-21(33(22)5-2)24(34)16-8-11-20-18(13-16)23(27)19(25(32-20)35-3)12-15-6-9-17(10-7-15)26(28,29)30/h6-11,13-14,24,34H,4-5,12H2,1-3H3
InChIKeyWWWXIIRXRMPJJL-UHFFFAOYSA-N
MW503.95 g/mol
LogP6.37
Rot. Bonds7

About [4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-diethylimidazol-4-yl)methanol

[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-diethylimidazol-4-yl)methanol (PubChem CID 118026114) has the molecular formula C26H25ClF3N3O2 and a molecular weight of 503.95 g/mol. Its IUPAC name is [4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-diethylimidazol-4-yl)methanol.

Molecular Properties

Compound Name[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-diethylimidazol-4-yl)methanol
PubChem CID118026114
Molecular FormulaC26H25ClF3N3O2
Molecular Weight503.95 g/mol
Exact Mass503.16
IUPAC Name[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-diethylimidazol-4-yl)methanol
SMILESCCc1ncc(C(O)c2ccc3nc(OC)c(Cc4ccc(C(F)(F)F)cc4)c(Cl)c3c2)n1CC
InChIInChI=1S/C26H25ClF3N3O2/c1-4-22-31-14-21(33(22)5-2)24(34)16-8-11-20-18(13-16)23(27)19(25(32-20)35-3)12-15-6-9-17(10-7-15)26(28,29)30/h6-11,13-14,24,34H,4-5,12H2,1-3H3
InChIKeyWWWXIIRXRMPJJL-UHFFFAOYSA-N
XLogP6.37
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.95
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(2,3-dimethylimidazol-4-yl)-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline
CID 118013611
[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-bis(1,2,5-trimethylimidazol-4-yl)methanol
CID 90102948
[4-chloro-2-methoxy-3-(2-methylpropyl)quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanol
CID 118022529
[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone
CID 141453470
2-[4-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-2-(2,3-dimethylimidazol-4-yl)acetonitrile
CID 162594709
3-[1-[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-1-hydroxyprop-2-ynyl]azetidine-1-carboxylic acid
CID 130404797
[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 74220681
[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)-(oxan-4-yl)methanol
CID 91754524
[4-chloro-2-methoxy-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 118006341
[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]quinolin-6-yl]-(4,7-dimethyl-5,6-dihydro-1,4-diazepin-3-yl)methanol
CID 162573430
1-[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-1-(2,6-dimethyl-3-pyridinyl)-N,N-dimethyl-1-(3-methyltriazol-4-yl)methanamine
CID 118006095
4-chloro-6-(2,3-dimethylimidazol-4-yl)-2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline
CID 118013606

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-diethylimidazol-4-yl)methanol?
The IUPAC name of [4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-diethylimidazol-4-yl)methanol (CID 118026114) is [4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-diethylimidazol-4-yl)methanol.
What is the SMILES notation for [4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-diethylimidazol-4-yl)methanol?
The canonical SMILES for [4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-diethylimidazol-4-yl)methanol is CCc1ncc(C(O)c2ccc3nc(OC)c(Cc4ccc(C(F)(F)F)cc4)c(Cl)c3c2)n1CC.
What is the InChIKey of [4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-diethylimidazol-4-yl)methanol?
The InChIKey is WWWXIIRXRMPJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClF3N3O2/c1-4-22-31-14-21(33(22)5-2)24(34)16-8-11-20-18(13-16)23(27)19(25(32-20)35-3)12-15-6-9-17(10-7-15)26(28,29)30/h6-11,13-14,24,34H,4-5,12H2,1-3H3.
What are the key properties of [4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-diethylimidazol-4-yl)methanol?
[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-diethylimidazol-4-yl)methanol has a molecular weight of 503.95 g/mol, XLogP of 6.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-diethylimidazol-4-yl)methanol is sourced from PubChem (CID 118026114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).