(2E)-2-[(Z)-4-(2,5-dimethylphenyl)-2-methylidenebut-3-enylidene]-1-methylquinoline

C23H23N — CID 134413065

IUPAC(2E)-2-[(Z)-4-(2,5-dimethylphenyl)-2-methylidenebut-3-enylidene]-1-methylquinoline
SMILESC=C(/C=C\c1cc(C)ccc1C)/C=C1\C=Cc2ccccc2N1C
InChIInChI=1S/C23H23N/c1-17-9-11-19(3)21(15-17)12-10-18(2)16-22-14-13-20-7-5-6-8-23(20)24(22)4/h5-16H,2H2,1,3-4H3/b12-10-,22-16+
InChIKeyDUPIPMIGASCBFD-PMDXQPJMSA-N
MW313.44 g/mol
LogP5.92
Rot. Bonds3

About (2E)-2-[(Z)-4-(2,5-dimethylphenyl)-2-methylidenebut-3-enylidene]-1-methylquinoline

(2E)-2-[(Z)-4-(2,5-dimethylphenyl)-2-methylidenebut-3-enylidene]-1-methylquinoline (PubChem CID 134413065) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is (2E)-2-[(Z)-4-(2,5-dimethylphenyl)-2-methylidenebut-3-enylidene]-1-methylquinoline.

Molecular Properties

Compound Name(2E)-2-[(Z)-4-(2,5-dimethylphenyl)-2-methylidenebut-3-enylidene]-1-methylquinoline
PubChem CID134413065
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC Name(2E)-2-[(Z)-4-(2,5-dimethylphenyl)-2-methylidenebut-3-enylidene]-1-methylquinoline
SMILESC=C(/C=C\c1cc(C)ccc1C)/C=C1\C=Cc2ccccc2N1C
InChIInChI=1S/C23H23N/c1-17-9-11-19(3)21(15-17)12-10-18(2)16-22-14-13-20-7-5-6-8-23(20)24(22)4/h5-16H,2H2,1,3-4H3/b12-10-,22-16+
InChIKeyDUPIPMIGASCBFD-PMDXQPJMSA-N
XLogP5.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-1-methyl-2-(2-methylprop-2-enylidene)quinoline
CID 144960539
(5Z)-4-ethyl-2-methylidene-5-[(Z)-2-methylidene-4-(2-methylphenyl)but-3-enylidene]-3-[(E)-[1-methyl-6-[(E)-3-oxobut-1-enyl]quinolin-2-ylidene]methyl]cyclopent-3-en-1-one
CID 166082872
(2E)-1-(4-methoxyphenyl)-2-(1-methylquinolin-2-ylidene)ethanone
CID 23279599
2-(1-methylquinolin-2-ylidene)acetaldehyde
CID 4702150
(2E)-1,7-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinoline iodide
CID 146048665
(2Z)-1,6-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinoline
CID 5400137
methyl N-(3-hydroxypropyl)-2-(1-methylquinolin-2-ylidene)ethanimidothioate
CID 154734832
(E)-3-(2,5-dimethylphenyl)prop-2-enoate
CID 7019631
butane;ethane;(5Z)-4-ethyl-2-methylidene-5-[(Z)-2-methylidene-4-(2-methylphenyl)but-3-enylidene]-3-[(E)-[1-methyl-6-[(E)-3-oxobut-1-enyl]quinolin-2-ylidene]methyl]cyclopent-3-en-1-one;formaldehyde;hexan-2-one
CID 166082871
2-[2-(1-methylquinolin-2-ylidene)ethylidene]propanedioic acid
CID 159863525
2-[(1-methylquinolin-2-ylidene)methyl]-4-[(1,3,3-trimethylindol-2-ylidene)methyl]cyclobuta-1,3-diene-1,3-diol
CID 89242253
2-[2-[4-[2-(2,5-dimethylphenyl)ethenyl]phenyl]ethenyl]-1,4-dimethylbenzene
CID 71374373

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-4-(2,5-dimethylphenyl)-2-methylidenebut-3-enylidene]-1-methylquinoline?
The IUPAC name of (2E)-2-[(Z)-4-(2,5-dimethylphenyl)-2-methylidenebut-3-enylidene]-1-methylquinoline (CID 134413065) is (2E)-2-[(Z)-4-(2,5-dimethylphenyl)-2-methylidenebut-3-enylidene]-1-methylquinoline.
What is the SMILES notation for (2E)-2-[(Z)-4-(2,5-dimethylphenyl)-2-methylidenebut-3-enylidene]-1-methylquinoline?
The canonical SMILES for (2E)-2-[(Z)-4-(2,5-dimethylphenyl)-2-methylidenebut-3-enylidene]-1-methylquinoline is C=C(/C=C\c1cc(C)ccc1C)/C=C1\C=Cc2ccccc2N1C.
What is the InChIKey of (2E)-2-[(Z)-4-(2,5-dimethylphenyl)-2-methylidenebut-3-enylidene]-1-methylquinoline?
The InChIKey is DUPIPMIGASCBFD-PMDXQPJMSA-N. The full InChI is InChI=1S/C23H23N/c1-17-9-11-19(3)21(15-17)12-10-18(2)16-22-14-13-20-7-5-6-8-23(20)24(22)4/h5-16H,2H2,1,3-4H3/b12-10-,22-16+.
What are the key properties of (2E)-2-[(Z)-4-(2,5-dimethylphenyl)-2-methylidenebut-3-enylidene]-1-methylquinoline?
(2E)-2-[(Z)-4-(2,5-dimethylphenyl)-2-methylidenebut-3-enylidene]-1-methylquinoline has a molecular weight of 313.44 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-4-(2,5-dimethylphenyl)-2-methylidenebut-3-enylidene]-1-methylquinoline is sourced from PubChem (CID 134413065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).