methyl 2-[(Z)-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]methyl]benzoate

C19H16ClN3O2 — CID 8982355

IUPACmethyl 2-[(Z)-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccccc1/C=N\Nc1cc(C)c2cc(Cl)ccc2n1
InChIInChI=1S/C19H16ClN3O2/c1-12-9-18(22-17-8-7-14(20)10-16(12)17)23-21-11-13-5-3-4-6-15(13)19(24)25-2/h3-11H,1-2H3,(H,22,23)/b21-11-
InChIKeyAJQQBQJXQFHPKP-NHDPSOOVSA-N
MW353.81 g/mol
LogP4.43
Rot. Bonds4

About methyl 2-[(Z)-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]methyl]benzoate

methyl 2-[(Z)-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]methyl]benzoate (PubChem CID 8982355) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is methyl 2-[(Z)-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(Z)-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]methyl]benzoate
PubChem CID8982355
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Namemethyl 2-[(Z)-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccccc1/C=N\Nc1cc(C)c2cc(Cl)ccc2n1
InChIInChI=1S/C19H16ClN3O2/c1-12-9-18(22-17-8-7-14(20)10-16(12)17)23-21-11-13-5-3-4-6-15(13)19(24)25-2/h3-11H,1-2H3,(H,22,23)/b21-11-
InChIKeyAJQQBQJXQFHPKP-NHDPSOOVSA-N
XLogP4.43
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate
CID 8980058
methyl 2-[(Z)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9218105
methyl 2-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 9231447
4-[(2Z)-2-[(2-methoxycarbonylphenyl)methylidene]hydrazinyl]benzoic acid
CID 8971364
2-[2-[(Z)-[(7-methoxy-4-methylquinolin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 8981304
methyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate
CID 8974838
(2R,3S,4R,5S,6E)-6-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol
CID 10809137
4-bromo-2-[(Z)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]phenol
CID 135504385
3-methoxy-5-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 135982526
methyl 2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-5-phenyl-1,3-thiazole-4-carboxylate
CID 3258589
methyl 2-[(Z)-[[4-(4-methylphenyl)sulfonylphenyl]hydrazinylidene]methyl]benzoate
CID 8979814
4-[(E)-N-[(6-chloro-4-methylquinolin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 135758857

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(Z)-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 2-[(Z)-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]methyl]benzoate (CID 8982355) is methyl 2-[(Z)-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 2-[(Z)-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 2-[(Z)-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]methyl]benzoate is COC(=O)c1ccccc1/C=N\Nc1cc(C)c2cc(Cl)ccc2n1.
What is the InChIKey of methyl 2-[(Z)-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]methyl]benzoate?
The InChIKey is AJQQBQJXQFHPKP-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-12-9-18(22-17-8-7-14(20)10-16(12)17)23-21-11-13-5-3-4-6-15(13)19(24)25-2/h3-11H,1-2H3,(H,22,23)/b21-11-.
What are the key properties of methyl 2-[(Z)-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]methyl]benzoate?
methyl 2-[(Z)-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]methyl]benzoate has a molecular weight of 353.81 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(Z)-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 8982355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).