(7E)-7-[(2Z)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-5-methylquinolin-8-one

C23H21ClN2O — CID 5474823

IUPAC(7E)-7-[(2Z)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-5-methylquinolin-8-one
SMILESCC1=C/C(=C\C=C2/N(C)c3ccc(Cl)cc3C2(C)C)C(=O)c2ncccc21
InChIInChI=1S/C23H21ClN2O/c1-14-12-15(22(27)21-17(14)6-5-11-25-21)7-10-20-23(2,3)18-13-16(24)8-9-19(18)26(20)4/h5-13H,1-4H3/b15-7+,20-10-
InChIKeyUTLUHPCHKAEJOI-JRTLMRLOSA-N
MW376.89 g/mol
LogP5.57
Rot. Bonds1

About (7E)-7-[(2Z)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-5-methylquinolin-8-one

(7E)-7-[(2Z)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-5-methylquinolin-8-one (PubChem CID 5474823) has the molecular formula C23H21ClN2O and a molecular weight of 376.89 g/mol. Its IUPAC name is (7E)-7-[(2Z)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-5-methylquinolin-8-one.

Molecular Properties

Compound Name(7E)-7-[(2Z)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-5-methylquinolin-8-one
PubChem CID5474823
Molecular FormulaC23H21ClN2O
Molecular Weight376.89 g/mol
Exact Mass376.13
IUPAC Name(7E)-7-[(2Z)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-5-methylquinolin-8-one
SMILESCC1=C/C(=C\C=C2/N(C)c3ccc(Cl)cc3C2(C)C)C(=O)c2ncccc21
InChIInChI=1S/C23H21ClN2O/c1-14-12-15(22(27)21-17(14)6-5-11-25-21)7-10-20-23(2,3)18-13-16(24)8-9-19(18)26(20)4/h5-13H,1-4H3/b15-7+,20-10-
InChIKeyUTLUHPCHKAEJOI-JRTLMRLOSA-N
XLogP5.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.89
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one
CID 6803592
5-methyl-7-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-8-one;hydroiodide
CID 154734819
(7E)-7-[(2Z)-2-(8-hydroxy-1-methylquinolin-2-ylidene)ethylidene]-5-methylquinolin-8-one
CID 54603064
[(2E,5E)-2-[(2E)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]cyclopentylidene]-diphenylazanium
CID 89449444
(4Z)-4-[(2E)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-5-(4-methoxyphenyl)-2-phenylpyrazol-3-one
CID 59912356
(7E)-7-[(2Z)-2-(8-hydroxy-1-methylquinolin-2-ylidene)ethylidene]-5-methylquinolin-8-one;methyl hydrogen sulfate
CID 171376897
bis(4-bromophenyl)-[(2E)-2-[(2E)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-5-[2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium
CID 162181155
5-chloro-2-[(2E)-2-[3-[2-(5-chloro-1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-2-methylcyclopent-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole
CID 59951550
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
(2E)-1-(2,4-dichlorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 2337442
5-chloro-1,3,3-trimethyl-2-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]indole
CID 59050810
9-[(2Z)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-1,2,3,4,4a,9a-hexahydrocarbazol-9-ium
CID 21118386

Frequently Asked Questions

What is the IUPAC name of (7E)-7-[(2Z)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-5-methylquinolin-8-one?
The IUPAC name of (7E)-7-[(2Z)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-5-methylquinolin-8-one (CID 5474823) is (7E)-7-[(2Z)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-5-methylquinolin-8-one.
What is the SMILES notation for (7E)-7-[(2Z)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-5-methylquinolin-8-one?
The canonical SMILES for (7E)-7-[(2Z)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-5-methylquinolin-8-one is CC1=C/C(=C\C=C2/N(C)c3ccc(Cl)cc3C2(C)C)C(=O)c2ncccc21.
What is the InChIKey of (7E)-7-[(2Z)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-5-methylquinolin-8-one?
The InChIKey is UTLUHPCHKAEJOI-JRTLMRLOSA-N. The full InChI is InChI=1S/C23H21ClN2O/c1-14-12-15(22(27)21-17(14)6-5-11-25-21)7-10-20-23(2,3)18-13-16(24)8-9-19(18)26(20)4/h5-13H,1-4H3/b15-7+,20-10-.
What are the key properties of (7E)-7-[(2Z)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-5-methylquinolin-8-one?
(7E)-7-[(2Z)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-5-methylquinolin-8-one has a molecular weight of 376.89 g/mol, XLogP of 5.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-[(2Z)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-5-methylquinolin-8-one is sourced from PubChem (CID 5474823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).