(2Z)-2-[(2-methylquinolin-4-yl)hydrazinylidene]propanoic acid

C13H13N3O2 — CID 6849850

IUPAC(2Z)-2-[(2-methylquinolin-4-yl)hydrazinylidene]propanoic acid
SMILESC/C(=N/Nc1cc(C)nc2ccccc12)C(=O)O
InChIInChI=1S/C13H13N3O2/c1-8-7-12(16-15-9(2)13(17)18)10-5-3-4-6-11(10)14-8/h3-7H,1-2H3,(H,14,16)(H,17,18)/b15-9-
InChIKeyRRCSHTGXWHXLKJ-DHDCSXOGSA-N
MW243.27 g/mol
LogP2.42
Rot. Bonds3

About (2Z)-2-[(2-methylquinolin-4-yl)hydrazinylidene]propanoic acid

(2Z)-2-[(2-methylquinolin-4-yl)hydrazinylidene]propanoic acid (PubChem CID 6849850) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is (2Z)-2-[(2-methylquinolin-4-yl)hydrazinylidene]propanoic acid.

Molecular Properties

Compound Name(2Z)-2-[(2-methylquinolin-4-yl)hydrazinylidene]propanoic acid
PubChem CID6849850
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name(2Z)-2-[(2-methylquinolin-4-yl)hydrazinylidene]propanoic acid
SMILESC/C(=N/Nc1cc(C)nc2ccccc12)C(=O)O
InChIInChI=1S/C13H13N3O2/c1-8-7-12(16-15-9(2)13(17)18)10-5-3-4-6-11(10)14-8/h3-7H,1-2H3,(H,14,16)(H,17,18)/b15-9-
InChIKeyRRCSHTGXWHXLKJ-DHDCSXOGSA-N
XLogP2.42
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.42
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

1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
2-[(2-methylquinolin-4-yl)amino]propanoic acid
CID 43525417
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
2-methyl-2-[(2-methylquinolin-4-yl)amino]propanamide
CID 61220010
4-[(2-methylquinolin-4-yl)amino]butanoic acid
CID 43419953
3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955
2-iodo-N-(2-methylquinolin-4-yl)benzamide
CID 60653788
methyl 2-[(2-methylquinolin-4-yl)amino]propanoate
CID 43525443
4-[(2-methylquinolin-4-yl)amino]phenol
CID 939157
3-methyl-2-[(2-methylquinolin-4-yl)amino]butanamide
CID 106345922
(E)-N-(2-methylquinolin-4-yl)-3-phenylprop-2-enamide
CID 1124742
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2-methylquinolin-4-yl)hydrazinylidene]propanoic acid?
The IUPAC name of (2Z)-2-[(2-methylquinolin-4-yl)hydrazinylidene]propanoic acid (CID 6849850) is (2Z)-2-[(2-methylquinolin-4-yl)hydrazinylidene]propanoic acid.
What is the SMILES notation for (2Z)-2-[(2-methylquinolin-4-yl)hydrazinylidene]propanoic acid?
The canonical SMILES for (2Z)-2-[(2-methylquinolin-4-yl)hydrazinylidene]propanoic acid is C/C(=N/Nc1cc(C)nc2ccccc12)C(=O)O.
What is the InChIKey of (2Z)-2-[(2-methylquinolin-4-yl)hydrazinylidene]propanoic acid?
The InChIKey is RRCSHTGXWHXLKJ-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-7-12(16-15-9(2)13(17)18)10-5-3-4-6-11(10)14-8/h3-7H,1-2H3,(H,14,16)(H,17,18)/b15-9-.
What are the key properties of (2Z)-2-[(2-methylquinolin-4-yl)hydrazinylidene]propanoic acid?
(2Z)-2-[(2-methylquinolin-4-yl)hydrazinylidene]propanoic acid has a molecular weight of 243.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2-methylquinolin-4-yl)hydrazinylidene]propanoic acid is sourced from PubChem (CID 6849850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).