4-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide

C19H15ClN4O3 — CID 3586346

IUPAC4-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)NN=Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C19H15ClN4O3/c20-15-7-5-12(6-8-15)18(26)21-11-17(25)24-22-10-14-9-13-3-1-2-4-16(13)23-19(14)27/h1-10H,11H2,(H,21,26)(H,23,27)(H,24,25)
InChIKeyMOGMAQGGOWTOLW-UHFFFAOYSA-N
MW382.81 g/mol
LogP2.06
Rot. Bonds5

About 4-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide

4-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide (PubChem CID 3586346) has the molecular formula C19H15ClN4O3 and a molecular weight of 382.81 g/mol. Its IUPAC name is 4-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
PubChem CID3586346
Molecular FormulaC19H15ClN4O3
Molecular Weight382.81 g/mol
Exact Mass382.08
IUPAC Name4-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)NN=Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C19H15ClN4O3/c20-15-7-5-12(6-8-15)18(26)21-11-17(25)24-22-10-14-9-13-3-1-2-4-16(13)23-19(14)27/h1-10H,11H2,(H,21,26)(H,23,27)(H,24,25)
InChIKeyMOGMAQGGOWTOLW-UHFFFAOYSA-N
XLogP2.06
TPSA103.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 52.06
H-Bond Donors ≤ 53
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

3-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 3548423
4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 136911857
N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide
CID 5164609
2-[(4-chlorophenyl)sulfonylamino]-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 4058223
3-chloro-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 4120444
N-(4-chlorophenyl)-N'-[(2-oxo-1H-quinolin-3-yl)methylideneamino]oxamide
CID 5103569
N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide
CID 136503680
2-[(4-chlorophenyl)methoxy]-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 136503674
4-chloro-N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3496807
4-chloro-N-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6172797
2-(4-chlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide
CID 135752432
4-butoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135752255

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide (CID 3586346) is 4-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)cc1)NN=Cc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 4-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide?
The InChIKey is MOGMAQGGOWTOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3/c20-15-7-5-12(6-8-15)18(26)21-11-17(25)24-22-10-14-9-13-3-1-2-4-16(13)23-19(14)27/h1-10H,11H2,(H,21,26)(H,23,27)(H,24,25).
What are the key properties of 4-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide?
4-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide has a molecular weight of 382.81 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 3586346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).