2-methyl-2-[5-[3-methyl-8-[4-(trifluoromethyl)phenyl]-2H-imidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]propanenitrile

C27H22F3N5 — CID 150618707

IUPAC2-methyl-2-[5-[3-methyl-8-[4-(trifluoromethyl)phenyl]-2H-imidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]propanenitrile
SMILESCN1CN(c2ccc(C(C)(C)C#N)nc2)c2c1cnc1ccc(-c3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C27H22F3N5/c1-26(2,15-31)24-11-9-20(13-33-24)35-16-34(3)23-14-32-22-10-6-18(12-21(22)25(23)35)17-4-7-19(8-5-17)27(28,29)30/h4-14H,16H2,1-3H3
InChIKeyIVKZYHCPFFEVJW-UHFFFAOYSA-N
MW473.50 g/mol
LogP6.66
Rot. Bonds3

About 2-methyl-2-[5-[3-methyl-8-[4-(trifluoromethyl)phenyl]-2H-imidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]propanenitrile

2-methyl-2-[5-[3-methyl-8-[4-(trifluoromethyl)phenyl]-2H-imidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]propanenitrile (PubChem CID 150618707) has the molecular formula C27H22F3N5 and a molecular weight of 473.50 g/mol. Its IUPAC name is 2-methyl-2-[5-[3-methyl-8-[4-(trifluoromethyl)phenyl]-2H-imidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[5-[3-methyl-8-[4-(trifluoromethyl)phenyl]-2H-imidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]propanenitrile
PubChem CID150618707
Molecular FormulaC27H22F3N5
Molecular Weight473.50 g/mol
Exact Mass473.18
IUPAC Name2-methyl-2-[5-[3-methyl-8-[4-(trifluoromethyl)phenyl]-2H-imidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]propanenitrile
SMILESCN1CN(c2ccc(C(C)(C)C#N)nc2)c2c1cnc1ccc(-c3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C27H22F3N5/c1-26(2,15-31)24-11-9-20(13-33-24)35-16-34(3)23-14-32-22-10-6-18(12-21(22)25(23)35)17-4-7-19(8-5-17)27(28,29)30/h4-14H,16H2,1-3H3
InChIKeyIVKZYHCPFFEVJW-UHFFFAOYSA-N
XLogP6.66
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.50
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[6-(2-cyanopropan-2-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-yl]cyanamide
CID 56598581
1-(6-methoxy-3-pyridinyl)-3-methyl-8-quinolin-7-yl-2H-imidazo[4,5-c]quinoline
CID 141322844
3-methyl-1-(4-pyrazol-1-ylphenyl)-8-quinolin-3-yl-2H-imidazo[4,5-c]quinoline
CID 141212460
2-[4-[8-(4-aminophenyl)-2-methylimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile
CID 175554808
2-[5-[8-(5-fluoro-2-methoxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]-2-methylpropanenitrile
CID 57345102
[1-[6-(2-cyanopropan-2-yl)-3-pyridinyl]-3-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinolin-2-ylidene]cyanamide
CID 56599117
2-methyl-2-[5-[2-methyl-8-(1H-pyrrolo[2,3-b]pyridin-6-yl)imidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]propanenitrile
CID 167312187
1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline
CID 141195629
[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide
CID 56598039
4-[2-cyanoimino-1-[6-(2-cyanopropan-2-yl)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 87097721
4-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzonitrile
CID 127048030
2-methyl-2-[4-[3-methyl-8-(1H-pyrazol-4-yl)pyrazolo[4,3-c]quinolin-1-yl]phenyl]propanenitrile
CID 71730868

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[5-[3-methyl-8-[4-(trifluoromethyl)phenyl]-2H-imidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]propanenitrile?
The IUPAC name of 2-methyl-2-[5-[3-methyl-8-[4-(trifluoromethyl)phenyl]-2H-imidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]propanenitrile (CID 150618707) is 2-methyl-2-[5-[3-methyl-8-[4-(trifluoromethyl)phenyl]-2H-imidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[5-[3-methyl-8-[4-(trifluoromethyl)phenyl]-2H-imidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]propanenitrile?
The canonical SMILES for 2-methyl-2-[5-[3-methyl-8-[4-(trifluoromethyl)phenyl]-2H-imidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]propanenitrile is CN1CN(c2ccc(C(C)(C)C#N)nc2)c2c1cnc1ccc(-c3ccc(C(F)(F)F)cc3)cc21.
What is the InChIKey of 2-methyl-2-[5-[3-methyl-8-[4-(trifluoromethyl)phenyl]-2H-imidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]propanenitrile?
The InChIKey is IVKZYHCPFFEVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N5/c1-26(2,15-31)24-11-9-20(13-33-24)35-16-34(3)23-14-32-22-10-6-18(12-21(22)25(23)35)17-4-7-19(8-5-17)27(28,29)30/h4-14H,16H2,1-3H3.
What are the key properties of 2-methyl-2-[5-[3-methyl-8-[4-(trifluoromethyl)phenyl]-2H-imidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]propanenitrile?
2-methyl-2-[5-[3-methyl-8-[4-(trifluoromethyl)phenyl]-2H-imidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]propanenitrile has a molecular weight of 473.50 g/mol, XLogP of 6.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[5-[3-methyl-8-[4-(trifluoromethyl)phenyl]-2H-imidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]propanenitrile is sourced from PubChem (CID 150618707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).