(5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline

C27H24FNO — CID 59971100

IUPAC(5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(C)c1)Oc1ccc(F)cc1-3
InChIInChI=1S/C27H24FNO/c1-16-6-5-7-18(12-16)13-24-26-20(21-14-19(28)8-11-23(21)30-24)9-10-22-25(26)17(2)15-27(3,4)29-22/h5-15,29H,1-4H3/b24-13-
InChIKeyACMHIHPPNKFBLC-CFRMEGHHSA-N
MW397.49 g/mol
LogP7.30
Rot. Bonds1

About (5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline

(5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline (PubChem CID 59971100) has the molecular formula C27H24FNO and a molecular weight of 397.49 g/mol. Its IUPAC name is (5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline.

Molecular Properties

Compound Name(5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline
PubChem CID59971100
Molecular FormulaC27H24FNO
Molecular Weight397.49 g/mol
Exact Mass397.18
IUPAC Name(5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(C)c1)Oc1ccc(F)cc1-3
InChIInChI=1S/C27H24FNO/c1-16-6-5-7-18(12-16)13-24-26-20(21-14-19(28)8-11-23(21)30-24)9-10-22-25(26)17(2)15-27(3,4)29-22/h5-15,29H,1-4H3/b24-13-
InChIKeyACMHIHPPNKFBLC-CFRMEGHHSA-N
XLogP7.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.49
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline with MolForge

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Related Compounds

9-fluoro-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline
CID 72610345
(5Z)-5-benzylidene-9-chloro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 23433665
(5Z)-5-[(3-bromophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 10813169
(5Z)-5-[(3-chlorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11453616
(5Z)-5-[(2-bromophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 10741917
(5Z)-5-[[3-(2,2-difluoroethoxy)phenyl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11340817
5-[(2-chlorophenyl)methylidene]-7,9-difluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 69417493
10-methoxy-2,2,4-trimethyl-5-[(3-thiophen-3-ylphenyl)methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
CID 72753654
(5Z)-5-[[3-[(1E,3E,5Z)-4-fluorohepta-1,3,5-trienoxy]phenyl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 143098331
(5Z)-5-butylidene-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 68943364
5-[(2-ethylphenyl)methyl]-9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol
CID 10950039
(5Z)-5-[(3,5-ditert-butylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11295406

Frequently Asked Questions

What is the IUPAC name of (5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline?
The IUPAC name of (5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline (CID 59971100) is (5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline.
What is the SMILES notation for (5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline?
The canonical SMILES for (5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline is CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(C)c1)Oc1ccc(F)cc1-3.
What is the InChIKey of (5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline?
The InChIKey is ACMHIHPPNKFBLC-CFRMEGHHSA-N. The full InChI is InChI=1S/C27H24FNO/c1-16-6-5-7-18(12-16)13-24-26-20(21-14-19(28)8-11-23(21)30-24)9-10-22-25(26)17(2)15-27(3,4)29-22/h5-15,29H,1-4H3/b24-13-.
What are the key properties of (5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline?
(5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline has a molecular weight of 397.49 g/mol, XLogP of 7.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline is sourced from PubChem (CID 59971100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).