(5Z)-5-benzylidene-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline

C26H22FNO — CID 11025398

IUPAC(5Z)-5-benzylidene-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1c(F)cccc1-3
InChIInChI=1S/C26H22FNO/c1-16-15-26(2,3)28-21-13-12-18-19-10-7-11-20(27)25(19)29-22(24(18)23(16)21)14-17-8-5-4-6-9-17/h4-15,28H,1-3H3/b22-14-
InChIKeyRTLRJRHSVSOAFD-HMAPJEAMSA-N
MW383.47 g/mol
LogP6.99
Rot. Bonds1

About (5Z)-5-benzylidene-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline

(5Z)-5-benzylidene-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline (PubChem CID 11025398) has the molecular formula C26H22FNO and a molecular weight of 383.47 g/mol. Its IUPAC name is (5Z)-5-benzylidene-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline.

Molecular Properties

Compound Name(5Z)-5-benzylidene-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
PubChem CID11025398
Molecular FormulaC26H22FNO
Molecular Weight383.47 g/mol
Exact Mass383.17
IUPAC Name(5Z)-5-benzylidene-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1c(F)cccc1-3
InChIInChI=1S/C26H22FNO/c1-16-15-26(2,3)28-21-13-12-18-19-10-7-11-20(27)25(19)29-22(24(18)23(16)21)14-17-8-5-4-6-9-17/h4-15,28H,1-3H3/b22-14-
InChIKeyRTLRJRHSVSOAFD-HMAPJEAMSA-N
XLogP6.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.47
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
The IUPAC name of (5Z)-5-benzylidene-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline (CID 11025398) is (5Z)-5-benzylidene-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline.
What is the SMILES notation for (5Z)-5-benzylidene-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
The canonical SMILES for (5Z)-5-benzylidene-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline is CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1c(F)cccc1-3.
What is the InChIKey of (5Z)-5-benzylidene-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
The InChIKey is RTLRJRHSVSOAFD-HMAPJEAMSA-N. The full InChI is InChI=1S/C26H22FNO/c1-16-15-26(2,3)28-21-13-12-18-19-10-7-11-20(27)25(19)29-22(24(18)23(16)21)14-17-8-5-4-6-9-17/h4-15,28H,1-3H3/b22-14-.
What are the key properties of (5Z)-5-benzylidene-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
(5Z)-5-benzylidene-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline has a molecular weight of 383.47 g/mol, XLogP of 6.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline is sourced from PubChem (CID 11025398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).