4-chloro-6-(2,3-dimethylimidazol-4-yl)-2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline

C24H21ClF3N3 — CID 118013606

IUPAC4-chloro-6-(2,3-dimethylimidazol-4-yl)-2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline
SMILESCCc1nc2ccc(-c3cnc(C)n3C)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H21ClF3N3/c1-4-20-18(11-15-5-8-17(9-6-15)24(26,27)28)23(25)19-12-16(7-10-21(19)30-20)22-13-29-14(2)31(22)3/h5-10,12-13H,4,11H2,1-3H3
InChIKeySRMRJNJFUGXZTP-UHFFFAOYSA-N
MW443.90 g/mol
LogP6.77
Rot. Bonds4

About 4-chloro-6-(2,3-dimethylimidazol-4-yl)-2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline

4-chloro-6-(2,3-dimethylimidazol-4-yl)-2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline (PubChem CID 118013606) has the molecular formula C24H21ClF3N3 and a molecular weight of 443.90 g/mol. Its IUPAC name is 4-chloro-6-(2,3-dimethylimidazol-4-yl)-2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline.

Molecular Properties

Compound Name4-chloro-6-(2,3-dimethylimidazol-4-yl)-2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline
PubChem CID118013606
Molecular FormulaC24H21ClF3N3
Molecular Weight443.90 g/mol
Exact Mass443.14
IUPAC Name4-chloro-6-(2,3-dimethylimidazol-4-yl)-2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline
SMILESCCc1nc2ccc(-c3cnc(C)n3C)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H21ClF3N3/c1-4-20-18(11-15-5-8-17(9-6-15)24(26,27)28)23(25)19-12-16(7-10-21(19)30-20)22-13-29-14(2)31(22)3/h5-10,12-13H,4,11H2,1-3H3
InChIKeySRMRJNJFUGXZTP-UHFFFAOYSA-N
XLogP6.77
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.90
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(2,3-dimethylimidazol-4-yl)-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline
CID 118013611
2-[4-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-2-(2,3-dimethylimidazol-4-yl)acetonitrile
CID 162594709
[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-bis(1,2,5-trimethylimidazol-4-yl)methanol
CID 90102948
5-(3,4-dichlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 5140918
[4-chloro-2-methoxy-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol
CID 118006341
(Z)-3-(2,3-dimethylimidazol-4-yl)-3-[2,4-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-2-N-methylbut-1-ene-1,2-diamine
CID 129131738
6-(benzotriazol-1-yl)-4-chloro-2-ethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline
CID 129131794
6-(2,3-dimethylimidazol-4-yl)-2-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carbonitrile
CID 118013653
[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(2,3-diethylimidazol-4-yl)methanol
CID 118026114
[4-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
CID 118006170
5-(4-chlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 3999347
[4-chloro-2-methoxy-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-6-yl]-(2,3-dimethylimidazol-4-yl)methanone
CID 118006152

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,3-dimethylimidazol-4-yl)-2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline?
The IUPAC name of 4-chloro-6-(2,3-dimethylimidazol-4-yl)-2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline (CID 118013606) is 4-chloro-6-(2,3-dimethylimidazol-4-yl)-2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline.
What is the SMILES notation for 4-chloro-6-(2,3-dimethylimidazol-4-yl)-2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline?
The canonical SMILES for 4-chloro-6-(2,3-dimethylimidazol-4-yl)-2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline is CCc1nc2ccc(-c3cnc(C)n3C)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-chloro-6-(2,3-dimethylimidazol-4-yl)-2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline?
The InChIKey is SRMRJNJFUGXZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3N3/c1-4-20-18(11-15-5-8-17(9-6-15)24(26,27)28)23(25)19-12-16(7-10-21(19)30-20)22-13-29-14(2)31(22)3/h5-10,12-13H,4,11H2,1-3H3.
What are the key properties of 4-chloro-6-(2,3-dimethylimidazol-4-yl)-2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline?
4-chloro-6-(2,3-dimethylimidazol-4-yl)-2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline has a molecular weight of 443.90 g/mol, XLogP of 6.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,3-dimethylimidazol-4-yl)-2-ethyl-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline is sourced from PubChem (CID 118013606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).