5-[(2-chlorophenyl)methylidene]-7,9-difluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline

C26H20ClF2NO — CID 69417493

IUPAC5-[(2-chlorophenyl)methylidene]-7,9-difluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(=Cc1ccccc1Cl)Oc1c(F)cc(F)cc1-3
InChIInChI=1S/C26H20ClF2NO/c1-14-13-26(2,3)30-21-9-8-17-18-11-16(28)12-20(29)25(18)31-22(24(17)23(14)21)10-15-6-4-5-7-19(15)27/h4-13,30H,1-3H3
InChIKeyVOPCEQXXVWFFAU-UHFFFAOYSA-N
MW435.90 g/mol
LogP7.78
Rot. Bonds1

About 5-[(2-chlorophenyl)methylidene]-7,9-difluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline

5-[(2-chlorophenyl)methylidene]-7,9-difluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline (PubChem CID 69417493) has the molecular formula C26H20ClF2NO and a molecular weight of 435.90 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylidene]-7,9-difluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylidene]-7,9-difluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
PubChem CID69417493
Molecular FormulaC26H20ClF2NO
Molecular Weight435.90 g/mol
Exact Mass435.12
IUPAC Name5-[(2-chlorophenyl)methylidene]-7,9-difluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(=Cc1ccccc1Cl)Oc1c(F)cc(F)cc1-3
InChIInChI=1S/C26H20ClF2NO/c1-14-13-26(2,3)30-21-9-8-17-18-11-16(28)12-20(29)25(18)31-22(24(17)23(14)21)10-15-6-4-5-7-19(15)27/h4-13,30H,1-3H3
InChIKeyVOPCEQXXVWFFAU-UHFFFAOYSA-N
XLogP7.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.90
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-benzylidene-9-chloro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 23433665
(5Z)-5-[(2-bromophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 10741917
7,9-difluoro-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 11741048
9-fluoro-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline
CID 72610345
(5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline
CID 59971100
7,9-difluoro-2,2,4-trimethyl-5-prop-1-ynyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 10338016
(5S)-5-[(1S)-2,3-dimethylcyclohex-2-en-1-yl]-7,9-difluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 44560815
5-(1-benzothiophen-2-yl)-7,9-difluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 10433652
(5Z)-5-[(3-bromophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 10813169
(5Z)-5-butylidene-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 68943364
(5Z)-5-(1,3-benzodioxol-4-ylmethylidene)-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11213215
(5Z)-5-[(3-chlorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11453616

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylidene]-7,9-difluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
The IUPAC name of 5-[(2-chlorophenyl)methylidene]-7,9-difluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline (CID 69417493) is 5-[(2-chlorophenyl)methylidene]-7,9-difluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline.
What is the SMILES notation for 5-[(2-chlorophenyl)methylidene]-7,9-difluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
The canonical SMILES for 5-[(2-chlorophenyl)methylidene]-7,9-difluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline is CC1=CC(C)(C)Nc2ccc3c(c21)C(=Cc1ccccc1Cl)Oc1c(F)cc(F)cc1-3.
What is the InChIKey of 5-[(2-chlorophenyl)methylidene]-7,9-difluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
The InChIKey is VOPCEQXXVWFFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClF2NO/c1-14-13-26(2,3)30-21-9-8-17-18-11-16(28)12-20(29)25(18)31-22(24(17)23(14)21)10-15-6-4-5-7-19(15)27/h4-13,30H,1-3H3.
What are the key properties of 5-[(2-chlorophenyl)methylidene]-7,9-difluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
5-[(2-chlorophenyl)methylidene]-7,9-difluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline has a molecular weight of 435.90 g/mol, XLogP of 7.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylidene]-7,9-difluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline is sourced from PubChem (CID 69417493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).