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

C26H22BrNO — CID 10741917

IUPAC(5Z)-5-[(2-bromophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1Br)Oc1ccccc1-3
InChIInChI=1S/C26H22BrNO/c1-16-15-26(2,3)28-21-13-12-19-18-9-5-7-11-22(18)29-23(25(19)24(16)21)14-17-8-4-6-10-20(17)27/h4-15,28H,1-3H3/b23-14-
InChIKeySCEKQQXRGFNJTE-UCQKPKSFSA-N
MW444.37 g/mol
LogP7.61
Rot. Bonds1

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

(5Z)-5-[(2-bromophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline (PubChem CID 10741917) has the molecular formula C26H22BrNO and a molecular weight of 444.37 g/mol. Its IUPAC name is (5Z)-5-[(2-bromophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline.

Molecular Properties

Compound Name(5Z)-5-[(2-bromophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
PubChem CID10741917
Molecular FormulaC26H22BrNO
Molecular Weight444.37 g/mol
Exact Mass443.09
IUPAC Name(5Z)-5-[(2-bromophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1Br)Oc1ccccc1-3
InChIInChI=1S/C26H22BrNO/c1-16-15-26(2,3)28-21-13-12-19-18-9-5-7-11-22(18)29-23(25(19)24(16)21)14-17-8-4-6-10-20(17)27/h4-15,28H,1-3H3/b23-14-
InChIKeySCEKQQXRGFNJTE-UCQKPKSFSA-N
XLogP7.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.37
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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-benzylidene-9-chloro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 23433665
5-[(2-chlorophenyl)methylidene]-7,9-difluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 69417493
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
(5Z)-5-(1,3-benzodioxol-4-ylmethylidene)-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11213215
10-methoxy-2,2,4-trimethyl-5-[[2-(nitrosomethyl)phenyl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
CID 91520703
(5Z)-5-but-3-enylidene-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 22314988
2,2,4-trimethyl-5-propyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 54083505
(5Z)-5-[(3-chlorophenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11453616
(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)-5-[(2-bromophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
The IUPAC name of (5Z)-5-[(2-bromophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline (CID 10741917) is (5Z)-5-[(2-bromophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline.
What is the SMILES notation for (5Z)-5-[(2-bromophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
The canonical SMILES for (5Z)-5-[(2-bromophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline is CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1Br)Oc1ccccc1-3.
What is the InChIKey of (5Z)-5-[(2-bromophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
The InChIKey is SCEKQQXRGFNJTE-UCQKPKSFSA-N. The full InChI is InChI=1S/C26H22BrNO/c1-16-15-26(2,3)28-21-13-12-19-18-9-5-7-11-22(18)29-23(25(19)24(16)21)14-17-8-4-6-10-20(17)27/h4-15,28H,1-3H3/b23-14-.
What are the key properties of (5Z)-5-[(2-bromophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
(5Z)-5-[(2-bromophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline has a molecular weight of 444.37 g/mol, XLogP of 7.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-bromophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline is sourced from PubChem (CID 10741917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).