(5Z)-5-benzylidene-9-chloro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline

C26H22ClNO — CID 23433665

IUPAC(5Z)-5-benzylidene-9-chloro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1ccc(Cl)cc1-3
InChIInChI=1S/C26H22ClNO/c1-16-15-26(2,3)28-21-11-10-19-20-14-18(27)9-12-22(20)29-23(25(19)24(16)21)13-17-7-5-4-6-8-17/h4-15,28H,1-3H3/b23-13-
InChIKeyFFVGRNXOMNTKPA-QRVIBDJDSA-N
MW399.92 g/mol
LogP7.50
Rot. Bonds1

About (5Z)-5-benzylidene-9-chloro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline

(5Z)-5-benzylidene-9-chloro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline (PubChem CID 23433665) has the molecular formula C26H22ClNO and a molecular weight of 399.92 g/mol. Its IUPAC name is (5Z)-5-benzylidene-9-chloro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline.

Molecular Properties

Compound Name(5Z)-5-benzylidene-9-chloro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
PubChem CID23433665
Molecular FormulaC26H22ClNO
Molecular Weight399.92 g/mol
Exact Mass399.14
IUPAC Name(5Z)-5-benzylidene-9-chloro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1ccc(Cl)cc1-3
InChIInChI=1S/C26H22ClNO/c1-16-15-26(2,3)28-21-11-10-19-20-14-18(27)9-12-22(20)29-23(25(19)24(16)21)13-17-7-5-4-6-8-17/h4-15,28H,1-3H3/b23-13-
InChIKeyFFVGRNXOMNTKPA-QRVIBDJDSA-N
XLogP7.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.92
LogP ≤ 57.50
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)-9-fluoro-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline
CID 59971100
9-fluoro-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline
CID 72610345
(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-butylidene-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 68943364
5-[(2-chlorophenyl)methylidene]-7,9-difluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 69417493
(5Z)-5-[(3,5-ditert-butylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11295406
9-chloro-2,2,4-trimethyl-5-(3-methylphenyl)-1,5-dihydrochromeno[3,4-f]quinoline
CID 11795355
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-(2,2-difluoroethoxy)phenyl]methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11340817
(5Z)-10-methoxy-2,2,4-trimethyl-5-[[3-[(E)-C-methyl-N-phenoxycarbonimidoyl]thiophen-2-yl]methylidene]-1H-chromeno[3,4-f]quinolin-9-ol
CID 11478401

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-9-chloro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
The IUPAC name of (5Z)-5-benzylidene-9-chloro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline (CID 23433665) is (5Z)-5-benzylidene-9-chloro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline.
What is the SMILES notation for (5Z)-5-benzylidene-9-chloro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
The canonical SMILES for (5Z)-5-benzylidene-9-chloro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline is CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1ccc(Cl)cc1-3.
What is the InChIKey of (5Z)-5-benzylidene-9-chloro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
The InChIKey is FFVGRNXOMNTKPA-QRVIBDJDSA-N. The full InChI is InChI=1S/C26H22ClNO/c1-16-15-26(2,3)28-21-11-10-19-20-14-18(27)9-12-22(20)29-23(25(19)24(16)21)13-17-7-5-4-6-8-17/h4-15,28H,1-3H3/b23-13-.
What are the key properties of (5Z)-5-benzylidene-9-chloro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline?
(5Z)-5-benzylidene-9-chloro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline has a molecular weight of 399.92 g/mol, XLogP of 7.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-9-chloro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline is sourced from PubChem (CID 23433665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).