8-chloro-2-(4-ethylphenyl)quinoline-4-carbohydrazide

C18H16ClN3O — CID 5172981

IUPAC8-chloro-2-(4-ethylphenyl)quinoline-4-carbohydrazide
SMILESCCc1ccc(-c2cc(C(=O)NN)c3cccc(Cl)c3n2)cc1
InChIInChI=1S/C18H16ClN3O/c1-2-11-6-8-12(9-7-11)16-10-14(18(23)22-20)13-4-3-5-15(19)17(13)21-16/h3-10H,2,20H2,1H3,(H,22,23)
InChIKeyZSRQOAPJMSSEED-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.72
Rot. Bonds3

About 8-chloro-2-(4-ethylphenyl)quinoline-4-carbohydrazide

8-chloro-2-(4-ethylphenyl)quinoline-4-carbohydrazide (PubChem CID 5172981) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 8-chloro-2-(4-ethylphenyl)quinoline-4-carbohydrazide.

Molecular Properties

Compound Name8-chloro-2-(4-ethylphenyl)quinoline-4-carbohydrazide
PubChem CID5172981
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name8-chloro-2-(4-ethylphenyl)quinoline-4-carbohydrazide
SMILESCCc1ccc(-c2cc(C(=O)NN)c3cccc(Cl)c3n2)cc1
InChIInChI=1S/C18H16ClN3O/c1-2-11-6-8-12(9-7-11)16-10-14(18(23)22-20)13-4-3-5-15(19)17(13)21-16/h3-10H,2,20H2,1H3,(H,22,23)
InChIKeyZSRQOAPJMSSEED-UHFFFAOYSA-N
XLogP3.72
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-chloro-2-(4-ethylphenyl)-N-[(E)-1-(4-propan-2-yloxyphenyl)ethylideneamino]quinoline-4-carboxamide
CID 17338089
8-chloro-2-(4-ethylphenyl)-N-[(Z)-1-(3-propoxyphenyl)ethylideneamino]quinoline-4-carboxamide
CID 23098533
8-chloro-2-(4-ethylphenyl)-N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]quinoline-4-carboxamide
CID 17310976
8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 3910389
2-tert-butyl-8-chloroquinoline-4-carbohydrazide
CID 82449002
8-chloro-2-(4-propan-2-ylphenyl)quinoline-4-carbonyl chloride
CID 46779481
8-bromo-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 4261180
2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate
CID 6975057
8-chloro-N-(3-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 3105380
[2-(4-ethylphenyl)-2-oxoethyl] 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate
CID 3724927
8-chloro-N-[(E)-4-methylpentan-2-ylideneamino]-2-phenylquinoline-4-carboxamide
CID 17349846
2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide
CID 3285016

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(4-ethylphenyl)quinoline-4-carbohydrazide?
The IUPAC name of 8-chloro-2-(4-ethylphenyl)quinoline-4-carbohydrazide (CID 5172981) is 8-chloro-2-(4-ethylphenyl)quinoline-4-carbohydrazide.
What is the SMILES notation for 8-chloro-2-(4-ethylphenyl)quinoline-4-carbohydrazide?
The canonical SMILES for 8-chloro-2-(4-ethylphenyl)quinoline-4-carbohydrazide is CCc1ccc(-c2cc(C(=O)NN)c3cccc(Cl)c3n2)cc1.
What is the InChIKey of 8-chloro-2-(4-ethylphenyl)quinoline-4-carbohydrazide?
The InChIKey is ZSRQOAPJMSSEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-2-11-6-8-12(9-7-11)16-10-14(18(23)22-20)13-4-3-5-15(19)17(13)21-16/h3-10H,2,20H2,1H3,(H,22,23).
What are the key properties of 8-chloro-2-(4-ethylphenyl)quinoline-4-carbohydrazide?
8-chloro-2-(4-ethylphenyl)quinoline-4-carbohydrazide has a molecular weight of 325.80 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(4-ethylphenyl)quinoline-4-carbohydrazide is sourced from PubChem (CID 5172981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).