4-methyl-1-(3-methylimidazo[4,5-f]quinolin-2-yl)-N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]hexan-3-imine

C24H24F6N4 — CID 134484425

IUPAC4-methyl-1-(3-methylimidazo[4,5-f]quinolin-2-yl)-N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]hexan-3-imine
SMILESC=C(/C=C(\N=C(/CCc1nc2c3cccnc3ccc2n1C)C(C)CC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C24H24F6N4/c1-5-14(2)17(32-20(24(28,29)30)13-15(3)23(25,26)27)9-11-21-33-22-16-7-6-12-31-18(16)8-10-19(22)34(21)4/h6-8,10,12-14H,3,5,9,11H2,1-2,4H3/b20-13-,32-17+
InChIKeyVOJWGGCIADUXDV-JQDJWYHQSA-N
MW482.47 g/mol
LogP7.11
Rot. Bonds7

About 4-methyl-1-(3-methylimidazo[4,5-f]quinolin-2-yl)-N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]hexan-3-imine

4-methyl-1-(3-methylimidazo[4,5-f]quinolin-2-yl)-N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]hexan-3-imine (PubChem CID 134484425) has the molecular formula C24H24F6N4 and a molecular weight of 482.47 g/mol. Its IUPAC name is 4-methyl-1-(3-methylimidazo[4,5-f]quinolin-2-yl)-N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]hexan-3-imine.

Molecular Properties

Compound Name4-methyl-1-(3-methylimidazo[4,5-f]quinolin-2-yl)-N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]hexan-3-imine
PubChem CID134484425
Molecular FormulaC24H24F6N4
Molecular Weight482.47 g/mol
Exact Mass482.19
IUPAC Name4-methyl-1-(3-methylimidazo[4,5-f]quinolin-2-yl)-N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]hexan-3-imine
SMILESC=C(/C=C(\N=C(/CCc1nc2c3cccnc3ccc2n1C)C(C)CC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C24H24F6N4/c1-5-14(2)17(32-20(24(28,29)30)13-15(3)23(25,26)27)9-11-21-33-22-16-7-6-12-31-18(16)8-10-19(22)34(21)4/h6-8,10,12-14H,3,5,9,11H2,1-2,4H3/b20-13-,32-17+
InChIKeyVOJWGGCIADUXDV-JQDJWYHQSA-N
XLogP7.11
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.47
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-methylimidazo[4,5-f]quinolin-2-yl)ethyl]benzo[h]quinoline
CID 134243207
2-[2-(5,8-difluoroquinoxalin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline
CID 70098732
3-methyl-2-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]imidazo[4,5-f]quinoline
CID 121279070
3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]imidazo[4,5-f]quinoline
CID 57415142
3-methyl-2-(2-pyrido[4,3-d]pyrimidin-2-ylethyl)imidazo[4,5-f]quinoline
CID 134484550
3-methylimidazo[4,5-f]quinoline-2-sulfonic acid
CID 10106806
2-[(2S)-1-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)propan-2-yl]-3-methylimidazo[4,5-f]quinoline
CID 126557215
6-ethenyl-5-ethylquinoline
CID 166703553
5-ethyl-6-propan-2-ylquinoline
CID 166938108
2-fluoro-3-methyl-2-quinolin-5-ylbutan-1-amine
CID 112566954
methanol;1,7-phenanthroline
CID 174496893
3-methyl-2-pyridin-2-ylbenzo[e]benzimidazole;hydrochloride
CID 14011825

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylimidazo[4,5-f]quinolin-2-yl)-N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]hexan-3-imine?
The IUPAC name of 4-methyl-1-(3-methylimidazo[4,5-f]quinolin-2-yl)-N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]hexan-3-imine (CID 134484425) is 4-methyl-1-(3-methylimidazo[4,5-f]quinolin-2-yl)-N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]hexan-3-imine.
What is the SMILES notation for 4-methyl-1-(3-methylimidazo[4,5-f]quinolin-2-yl)-N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]hexan-3-imine?
The canonical SMILES for 4-methyl-1-(3-methylimidazo[4,5-f]quinolin-2-yl)-N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]hexan-3-imine is C=C(/C=C(\N=C(/CCc1nc2c3cccnc3ccc2n1C)C(C)CC)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-methyl-1-(3-methylimidazo[4,5-f]quinolin-2-yl)-N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]hexan-3-imine?
The InChIKey is VOJWGGCIADUXDV-JQDJWYHQSA-N. The full InChI is InChI=1S/C24H24F6N4/c1-5-14(2)17(32-20(24(28,29)30)13-15(3)23(25,26)27)9-11-21-33-22-16-7-6-12-31-18(16)8-10-19(22)34(21)4/h6-8,10,12-14H,3,5,9,11H2,1-2,4H3/b20-13-,32-17+.
What are the key properties of 4-methyl-1-(3-methylimidazo[4,5-f]quinolin-2-yl)-N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]hexan-3-imine?
4-methyl-1-(3-methylimidazo[4,5-f]quinolin-2-yl)-N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]hexan-3-imine has a molecular weight of 482.47 g/mol, XLogP of 7.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylimidazo[4,5-f]quinolin-2-yl)-N-[(2Z)-1,1,1-trifluoro-4-(trifluoromethyl)penta-2,4-dien-2-yl]hexan-3-imine is sourced from PubChem (CID 134484425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).