(2Z)-1-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline

C23H23N2+ — CID 25113352

IUPAC(2Z)-1-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline
SMILESCCN1/C(=C\c2cc[n+](CC)c3ccccc23)C=Cc2ccccc21
InChIInChI=1S/C23H23N2/c1-3-24-16-15-19(21-10-6-8-12-23(21)24)17-20-14-13-18-9-5-7-11-22(18)25(20)4-2/h5-17H,3-4H2,1-2H3/q+1
InChIKeyCJRNTVYQEXDVCB-UHFFFAOYSA-N
MW327.45 g/mol
LogP5.04
Rot. Bonds3

About (2Z)-1-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline

(2Z)-1-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline (PubChem CID 25113352) has the molecular formula C23H23N2+ and a molecular weight of 327.45 g/mol. Its IUPAC name is (2Z)-1-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline.

Molecular Properties

Compound Name(2Z)-1-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline
PubChem CID25113352
Molecular FormulaC23H23N2+
Molecular Weight327.45 g/mol
Exact Mass327.19
IUPAC Name(2Z)-1-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline
SMILESCCN1/C(=C\c2cc[n+](CC)c3ccccc23)C=Cc2ccccc21
InChIInChI=1S/C23H23N2/c1-3-24-16-15-19(21-10-6-8-12-23(21)24)17-20-14-13-18-9-5-7-11-22(18)25(20)4-2/h5-17H,3-4H2,1-2H3/q+1
InChIKeyCJRNTVYQEXDVCB-UHFFFAOYSA-N
XLogP5.04
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.45
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

CID 21855
CID 21855
CID 10649
CID 10649
CID 7047
CID 7047
CID 4761
CID 4761
CID 9215
CID 9215
CID 5281035
CID 5281035
CID 7059
CID 7059
CID 62344
CID 62344
CID 19861
CID 19861
CID 2993
CID 2993
CID 197033
CID 197033
CID 72812
CID 72812

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline?
The IUPAC name of (2Z)-1-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline (CID 25113352) is (2Z)-1-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline.
What is the SMILES notation for (2Z)-1-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline?
The canonical SMILES for (2Z)-1-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline is CCN1/C(=C\c2cc[n+](CC)c3ccccc23)C=Cc2ccccc21.
What is the InChIKey of (2Z)-1-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline?
The InChIKey is CJRNTVYQEXDVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N2/c1-3-24-16-15-19(21-10-6-8-12-23(21)24)17-20-14-13-18-9-5-7-11-22(18)25(20)4-2/h5-17H,3-4H2,1-2H3/q+1.
What are the key properties of (2Z)-1-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline?
(2Z)-1-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline has a molecular weight of 327.45 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline is sourced from PubChem (CID 25113352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).