(Z)-methoxy-[(3-methoxycarbonyl-1,2-dihydroquinolin-4-yl)methylidene]azanium;toluene

C20H23N2O3+ — CID 143094564

IUPAC(Z)-methoxy-[(3-methoxycarbonyl-1,2-dihydroquinolin-4-yl)methylidene]azanium;toluene
SMILESCO/[NH+]=C\C1=C(C(=O)OC)CNc2ccccc21.Cc1ccccc1
InChIInChI=1S/C13H14N2O3.C7H8/c1-17-13(16)11-7-14-12-6-4-3-5-9(12)10(11)8-15-18-2;1-7-5-3-2-4-6-7/h3-6,8,14H,7H2,1-2H3;2-6H,1H3/p+1/b15-8-;
InChIKeyHYBNZVBSGJHPCF-ZTXYIFKNSA-O
MW339.42 g/mol
LogP1.75
Rot. Bonds3

About (Z)-methoxy-[(3-methoxycarbonyl-1,2-dihydroquinolin-4-yl)methylidene]azanium;toluene

(Z)-methoxy-[(3-methoxycarbonyl-1,2-dihydroquinolin-4-yl)methylidene]azanium;toluene (PubChem CID 143094564) has the molecular formula C20H23N2O3+ and a molecular weight of 339.42 g/mol. Its IUPAC name is (Z)-methoxy-[(3-methoxycarbonyl-1,2-dihydroquinolin-4-yl)methylidene]azanium;toluene.

Molecular Properties

Compound Name(Z)-methoxy-[(3-methoxycarbonyl-1,2-dihydroquinolin-4-yl)methylidene]azanium;toluene
PubChem CID143094564
Molecular FormulaC20H23N2O3+
Molecular Weight339.42 g/mol
Exact Mass339.17
IUPAC Name(Z)-methoxy-[(3-methoxycarbonyl-1,2-dihydroquinolin-4-yl)methylidene]azanium;toluene
SMILESCO/[NH+]=C\C1=C(C(=O)OC)CNc2ccccc21.Cc1ccccc1
InChIInChI=1S/C13H14N2O3.C7H8/c1-17-13(16)11-7-14-12-6-4-3-5-9(12)10(11)8-15-18-2;1-7-5-3-2-4-6-7/h3-6,8,14H,7H2,1-2H3;2-6H,1H3/p+1/b15-8-;
InChIKeyHYBNZVBSGJHPCF-ZTXYIFKNSA-O
XLogP1.75
TPSA61.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 5-phenyl-1,4-dihydroquinoline-2-carboxylate
CID 68720790
methanol;methyl 4-methylbenzoate;toluene
CID 142226695
2-methoxy-2-oxoacetic acid;toluene
CID 159263355
methyl benzoate;sulfuryl dichloride;toluene
CID 162034075
methyl 4-bromo-2-(1,2-dihydroquinazolin-4-yl)benzoate
CID 175275759
methyl 1-benzyl-4-methyl-2,5-dihydropyrrole-3-carboxylate
CID 101371123
methyl 4-methylbenzoate
CID 7455
methyl 4-methylbenzoate
CID 91113291
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
(E)-3-[2-(4-methoxycarbonylphenyl)phenyl]prop-2-enoic acid
CID 170872378
hexakis(carbonofluoridic acid);toluene;hexahydroiodide
CID 175363769

Frequently Asked Questions

What is the IUPAC name of (Z)-methoxy-[(3-methoxycarbonyl-1,2-dihydroquinolin-4-yl)methylidene]azanium;toluene?
The IUPAC name of (Z)-methoxy-[(3-methoxycarbonyl-1,2-dihydroquinolin-4-yl)methylidene]azanium;toluene (CID 143094564) is (Z)-methoxy-[(3-methoxycarbonyl-1,2-dihydroquinolin-4-yl)methylidene]azanium;toluene.
What is the SMILES notation for (Z)-methoxy-[(3-methoxycarbonyl-1,2-dihydroquinolin-4-yl)methylidene]azanium;toluene?
The canonical SMILES for (Z)-methoxy-[(3-methoxycarbonyl-1,2-dihydroquinolin-4-yl)methylidene]azanium;toluene is CO/[NH+]=C\C1=C(C(=O)OC)CNc2ccccc21.Cc1ccccc1.
What is the InChIKey of (Z)-methoxy-[(3-methoxycarbonyl-1,2-dihydroquinolin-4-yl)methylidene]azanium;toluene?
The InChIKey is HYBNZVBSGJHPCF-ZTXYIFKNSA-O. The full InChI is InChI=1S/C13H14N2O3.C7H8/c1-17-13(16)11-7-14-12-6-4-3-5-9(12)10(11)8-15-18-2;1-7-5-3-2-4-6-7/h3-6,8,14H,7H2,1-2H3;2-6H,1H3/p+1/b15-8-;.
What are the key properties of (Z)-methoxy-[(3-methoxycarbonyl-1,2-dihydroquinolin-4-yl)methylidene]azanium;toluene?
(Z)-methoxy-[(3-methoxycarbonyl-1,2-dihydroquinolin-4-yl)methylidene]azanium;toluene has a molecular weight of 339.42 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-methoxy-[(3-methoxycarbonyl-1,2-dihydroquinolin-4-yl)methylidene]azanium;toluene is sourced from PubChem (CID 143094564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).