2-anilino-N'-(2-chloroacetyl)quinoline-4-carbohydrazide

C18H15ClN4O2 — CID 3077552

IUPAC2-anilino-N'-(2-chloroacetyl)quinoline-4-carbohydrazide
SMILESO=C(CCl)NNC(=O)c1cc(Nc2ccccc2)nc2ccccc12
InChIInChI=1S/C18H15ClN4O2/c19-11-17(24)22-23-18(25)14-10-16(20-12-6-2-1-3-7-12)21-15-9-5-4-8-13(14)15/h1-10H,11H2,(H,20,21)(H,22,24)(H,23,25)
InChIKeyZLLSYIMPOVUNQP-UHFFFAOYSA-N
MW354.80 g/mol
LogP2.98
Rot. Bonds4

About 2-anilino-N'-(2-chloroacetyl)quinoline-4-carbohydrazide

2-anilino-N'-(2-chloroacetyl)quinoline-4-carbohydrazide (PubChem CID 3077552) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 2-anilino-N'-(2-chloroacetyl)quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-anilino-N'-(2-chloroacetyl)quinoline-4-carbohydrazide
PubChem CID3077552
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name2-anilino-N'-(2-chloroacetyl)quinoline-4-carbohydrazide
SMILESO=C(CCl)NNC(=O)c1cc(Nc2ccccc2)nc2ccccc12
InChIInChI=1S/C18H15ClN4O2/c19-11-17(24)22-23-18(25)14-10-16(20-12-6-2-1-3-7-12)21-15-9-5-4-8-13(14)15/h1-10H,11H2,(H,20,21)(H,22,24)(H,23,25)
InChIKeyZLLSYIMPOVUNQP-UHFFFAOYSA-N
XLogP2.98
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N'-(2-chloroacetyl)quinoline-4-carbohydrazide?
The IUPAC name of 2-anilino-N'-(2-chloroacetyl)quinoline-4-carbohydrazide (CID 3077552) is 2-anilino-N'-(2-chloroacetyl)quinoline-4-carbohydrazide.
What is the SMILES notation for 2-anilino-N'-(2-chloroacetyl)quinoline-4-carbohydrazide?
The canonical SMILES for 2-anilino-N'-(2-chloroacetyl)quinoline-4-carbohydrazide is O=C(CCl)NNC(=O)c1cc(Nc2ccccc2)nc2ccccc12.
What is the InChIKey of 2-anilino-N'-(2-chloroacetyl)quinoline-4-carbohydrazide?
The InChIKey is ZLLSYIMPOVUNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c19-11-17(24)22-23-18(25)14-10-16(20-12-6-2-1-3-7-12)21-15-9-5-4-8-13(14)15/h1-10H,11H2,(H,20,21)(H,22,24)(H,23,25).
What are the key properties of 2-anilino-N'-(2-chloroacetyl)quinoline-4-carbohydrazide?
2-anilino-N'-(2-chloroacetyl)quinoline-4-carbohydrazide has a molecular weight of 354.80 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N'-(2-chloroacetyl)quinoline-4-carbohydrazide is sourced from PubChem (CID 3077552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).