1-methyl-2-(pyrimidin-4-ylmethyl)-8-(trifluoromethyl)imidazo[4,5-c]quinoline

C17H12F3N5 — CID 145275553

IUPAC1-methyl-2-(pyrimidin-4-ylmethyl)-8-(trifluoromethyl)imidazo[4,5-c]quinoline
SMILESCn1c(Cc2ccncn2)nc2cnc3ccc(C(F)(F)F)cc3c21
InChIInChI=1S/C17H12F3N5/c1-25-15(7-11-4-5-21-9-23-11)24-14-8-22-13-3-2-10(17(18,19)20)6-12(13)16(14)25/h2-6,8-9H,7H2,1H3
InChIKeyHWIWISYFSHMLQW-UHFFFAOYSA-N
MW343.31 g/mol
LogP3.52
Rot. Bonds2

About 1-methyl-2-(pyrimidin-4-ylmethyl)-8-(trifluoromethyl)imidazo[4,5-c]quinoline

1-methyl-2-(pyrimidin-4-ylmethyl)-8-(trifluoromethyl)imidazo[4,5-c]quinoline (PubChem CID 145275553) has the molecular formula C17H12F3N5 and a molecular weight of 343.31 g/mol. Its IUPAC name is 1-methyl-2-(pyrimidin-4-ylmethyl)-8-(trifluoromethyl)imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name1-methyl-2-(pyrimidin-4-ylmethyl)-8-(trifluoromethyl)imidazo[4,5-c]quinoline
PubChem CID145275553
Molecular FormulaC17H12F3N5
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC Name1-methyl-2-(pyrimidin-4-ylmethyl)-8-(trifluoromethyl)imidazo[4,5-c]quinoline
SMILESCn1c(Cc2ccncn2)nc2cnc3ccc(C(F)(F)F)cc3c21
InChIInChI=1S/C17H12F3N5/c1-25-15(7-11-4-5-21-9-23-11)24-14-8-22-13-3-2-10(17(18,19)20)6-12(13)16(14)25/h2-6,8-9H,7H2,1H3
InChIKeyHWIWISYFSHMLQW-UHFFFAOYSA-N
XLogP3.52
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[[1-(oxan-4-yl)-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-1,3,4-thiadiazole
CID 142423818
2-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylimidazo[4,5-c]quinoline-8-carbonitrile
CID 166795435
4-ethyl-6-(trifluoromethyl)quinoline
CID 123745234
1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)benzimidazole
CID 66614356
2-(bromomethyl)-6-(trifluoromethyl)quinoxaline
CID 71379300
N-(pyrimidin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62748716
2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinoline
CID 118146486
5-ethyl-3-(trifluoromethyl)-1,6-naphthyridine
CID 70642178
N-(pyrimidin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 62747287
2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310390
4-methoxy-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]pyridin-3-amine
CID 99577205
2-[[6-(trifluoromethyl)quinolin-4-yl]amino]acetamide
CID 141322057

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(pyrimidin-4-ylmethyl)-8-(trifluoromethyl)imidazo[4,5-c]quinoline?
The IUPAC name of 1-methyl-2-(pyrimidin-4-ylmethyl)-8-(trifluoromethyl)imidazo[4,5-c]quinoline (CID 145275553) is 1-methyl-2-(pyrimidin-4-ylmethyl)-8-(trifluoromethyl)imidazo[4,5-c]quinoline.
What is the SMILES notation for 1-methyl-2-(pyrimidin-4-ylmethyl)-8-(trifluoromethyl)imidazo[4,5-c]quinoline?
The canonical SMILES for 1-methyl-2-(pyrimidin-4-ylmethyl)-8-(trifluoromethyl)imidazo[4,5-c]quinoline is Cn1c(Cc2ccncn2)nc2cnc3ccc(C(F)(F)F)cc3c21.
What is the InChIKey of 1-methyl-2-(pyrimidin-4-ylmethyl)-8-(trifluoromethyl)imidazo[4,5-c]quinoline?
The InChIKey is HWIWISYFSHMLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5/c1-25-15(7-11-4-5-21-9-23-11)24-14-8-22-13-3-2-10(17(18,19)20)6-12(13)16(14)25/h2-6,8-9H,7H2,1H3.
What are the key properties of 1-methyl-2-(pyrimidin-4-ylmethyl)-8-(trifluoromethyl)imidazo[4,5-c]quinoline?
1-methyl-2-(pyrimidin-4-ylmethyl)-8-(trifluoromethyl)imidazo[4,5-c]quinoline has a molecular weight of 343.31 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(pyrimidin-4-ylmethyl)-8-(trifluoromethyl)imidazo[4,5-c]quinoline is sourced from PubChem (CID 145275553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).