N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]prop-2-enamide

C26H18F3N5O2 — CID 71554638

IUPACN-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2ccc3ncc4c(c3c2)n(-c2cccc(C(F)(F)F)c2)c(=O)n4C)cn1
InChIInChI=1S/C26H18F3N5O2/c1-3-23(35)32-22-10-8-16(13-31-22)15-7-9-20-19(11-15)24-21(14-30-20)33(2)25(36)34(24)18-6-4-5-17(12-18)26(27,28)29/h3-14H,1H2,2H3,(H,31,32,35)
InChIKeyLSLOFJIYIMSGSM-UHFFFAOYSA-N
MW489.46 g/mol
LogP5.08
Rot. Bonds4

About N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]prop-2-enamide

N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]prop-2-enamide (PubChem CID 71554638) has the molecular formula C26H18F3N5O2 and a molecular weight of 489.46 g/mol. Its IUPAC name is N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]prop-2-enamide
PubChem CID71554638
Molecular FormulaC26H18F3N5O2
Molecular Weight489.46 g/mol
Exact Mass489.14
IUPAC NameN-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2ccc3ncc4c(c3c2)n(-c2cccc(C(F)(F)F)c2)c(=O)n4C)cn1
InChIInChI=1S/C26H18F3N5O2/c1-3-23(35)32-22-10-8-16(13-31-22)15-7-9-20-19(11-15)24-21(14-30-20)33(2)25(36)34(24)18-6-4-5-17(12-18)26(27,28)29/h3-14H,1H2,2H3,(H,31,32,35)
InChIKeyLSLOFJIYIMSGSM-UHFFFAOYSA-N
XLogP5.08
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.46
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzonitrile
CID 127048030
4-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzenesulfonamide
CID 127045644
(E)-N-[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]but-2-enamide
CID 71554548
8-[5-(2-fluoroethoxy)-6-methyl-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
CID 71553672
methyl N-[5-[1-(2,3-dimethylphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]carbamate
CID 71554021
benzyl N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-c]quinolin-8-yl]-2-pyridinyl]carbamate
CID 155249538
9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 51358113
8-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
CID 91232152
8-(6-methoxy-3-pyridinyl)-3-methyl-1-[4-pyrazol-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
CID 11977654
2-methyl-2-[4-[3-methyl-2-oxo-8-[6-[(1Z,3Z)-penta-1,3-dienyl]-3-pyridinyl]imidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile
CID 144955468
2-[6-(methylamino)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
CID 135267110
tert-butyl 4-[4-[3-methyl-8-[2-(methylamino)pyrimidin-5-yl]-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 176896340

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]prop-2-enamide?
The IUPAC name of N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]prop-2-enamide (CID 71554638) is N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]prop-2-enamide is C=CC(=O)Nc1ccc(-c2ccc3ncc4c(c3c2)n(-c2cccc(C(F)(F)F)c2)c(=O)n4C)cn1.
What is the InChIKey of N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]prop-2-enamide?
The InChIKey is LSLOFJIYIMSGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N5O2/c1-3-23(35)32-22-10-8-16(13-31-22)15-7-9-20-19(11-15)24-21(14-30-20)33(2)25(36)34(24)18-6-4-5-17(12-18)26(27,28)29/h3-14H,1H2,2H3,(H,31,32,35).
What are the key properties of N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]prop-2-enamide?
N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]prop-2-enamide has a molecular weight of 489.46 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]prop-2-enamide is sourced from PubChem (CID 71554638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).