(2Z)-1-methyl-2-[(1-propan-2-ylquinolin-1-ium-4-yl)methylidene]quinoline

C23H23N2+ — CID 10389234

IUPAC(2Z)-1-methyl-2-[(1-propan-2-ylquinolin-1-ium-4-yl)methylidene]quinoline
SMILESCC(C)[n+]1ccc(/C=C2/C=Cc3ccccc3N2C)c2ccccc21
InChIInChI=1S/C23H23N2/c1-17(2)25-15-14-19(21-9-5-7-11-23(21)25)16-20-13-12-18-8-4-6-10-22(18)24(20)3/h4-17H,1-3H3/q+1
InChIKeyUHDVYQSRZWKNOD-UHFFFAOYSA-N
MW327.45 g/mol
LogP5.21
Rot. Bonds2

About (2Z)-1-methyl-2-[(1-propan-2-ylquinolin-1-ium-4-yl)methylidene]quinoline

(2Z)-1-methyl-2-[(1-propan-2-ylquinolin-1-ium-4-yl)methylidene]quinoline (PubChem CID 10389234) has the molecular formula C23H23N2+ and a molecular weight of 327.45 g/mol. Its IUPAC name is (2Z)-1-methyl-2-[(1-propan-2-ylquinolin-1-ium-4-yl)methylidene]quinoline.

Molecular Properties

Compound Name(2Z)-1-methyl-2-[(1-propan-2-ylquinolin-1-ium-4-yl)methylidene]quinoline
PubChem CID10389234
Molecular FormulaC23H23N2+
Molecular Weight327.45 g/mol
Exact Mass327.19
IUPAC Name(2Z)-1-methyl-2-[(1-propan-2-ylquinolin-1-ium-4-yl)methylidene]quinoline
SMILESCC(C)[n+]1ccc(/C=C2/C=Cc3ccccc3N2C)c2ccccc21
InChIInChI=1S/C23H23N2/c1-17(2)25-15-14-19(21-9-5-7-11-23(21)25)16-20-13-12-18-8-4-6-10-22(18)24(20)3/h4-17H,1-3H3/q+1
InChIKeyUHDVYQSRZWKNOD-UHFFFAOYSA-N
XLogP5.21
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.45
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-1-methyl-2-[(1-propan-2-ylquinolin-1-ium-4-yl)methylidene]quinoline?
The IUPAC name of (2Z)-1-methyl-2-[(1-propan-2-ylquinolin-1-ium-4-yl)methylidene]quinoline (CID 10389234) is (2Z)-1-methyl-2-[(1-propan-2-ylquinolin-1-ium-4-yl)methylidene]quinoline.
What is the SMILES notation for (2Z)-1-methyl-2-[(1-propan-2-ylquinolin-1-ium-4-yl)methylidene]quinoline?
The canonical SMILES for (2Z)-1-methyl-2-[(1-propan-2-ylquinolin-1-ium-4-yl)methylidene]quinoline is CC(C)[n+]1ccc(/C=C2/C=Cc3ccccc3N2C)c2ccccc21.
What is the InChIKey of (2Z)-1-methyl-2-[(1-propan-2-ylquinolin-1-ium-4-yl)methylidene]quinoline?
The InChIKey is UHDVYQSRZWKNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N2/c1-17(2)25-15-14-19(21-9-5-7-11-23(21)25)16-20-13-12-18-8-4-6-10-22(18)24(20)3/h4-17H,1-3H3/q+1.
What are the key properties of (2Z)-1-methyl-2-[(1-propan-2-ylquinolin-1-ium-4-yl)methylidene]quinoline?
(2Z)-1-methyl-2-[(1-propan-2-ylquinolin-1-ium-4-yl)methylidene]quinoline has a molecular weight of 327.45 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-methyl-2-[(1-propan-2-ylquinolin-1-ium-4-yl)methylidene]quinoline is sourced from PubChem (CID 10389234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).