3-chloro-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide

C17H12ClN3O2 — CID 4120444

IUPAC3-chloro-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cc2ccccc2[nH]c1=O)c1cccc(Cl)c1
InChIInChI=1S/C17H12ClN3O2/c18-14-6-3-5-12(9-14)17(23)21-19-10-13-8-11-4-1-2-7-15(11)20-16(13)22/h1-10H,(H,20,22)(H,21,23)
InChIKeyQFDBQBQUUZICJA-UHFFFAOYSA-N
MW325.76 g/mol
LogP2.95
Rot. Bonds3

About 3-chloro-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide

3-chloro-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide (PubChem CID 4120444) has the molecular formula C17H12ClN3O2 and a molecular weight of 325.76 g/mol. Its IUPAC name is 3-chloro-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
PubChem CID4120444
Molecular FormulaC17H12ClN3O2
Molecular Weight325.76 g/mol
Exact Mass325.06
IUPAC Name3-chloro-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cc2ccccc2[nH]c1=O)c1cccc(Cl)c1
InChIInChI=1S/C17H12ClN3O2/c18-14-6-3-5-12(9-14)17(23)21-19-10-13-8-11-4-1-2-7-15(11)20-16(13)22/h1-10H,(H,20,22)(H,21,23)
InChIKeyQFDBQBQUUZICJA-UHFFFAOYSA-N
XLogP2.95
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
3-methoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135685127
4-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 3586346
N-(4-chlorophenyl)-N'-[(2-oxo-1H-quinolin-3-yl)methylideneamino]oxamide
CID 5103569
2-iodo-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135615366
N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]thiophene-2-carboxamide
CID 136782120
2-[(4-chlorophenyl)methoxy]-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 136503674
3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135472516
4-butoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135752255
2-(4-chlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide
CID 135752432
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
CID 5332427

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide (CID 4120444) is 3-chloro-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide is O=C(NN=Cc1cc2ccccc2[nH]c1=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide?
The InChIKey is QFDBQBQUUZICJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2/c18-14-6-3-5-12(9-14)17(23)21-19-10-13-8-11-4-1-2-7-15(11)20-16(13)22/h1-10H,(H,20,22)(H,21,23).
What are the key properties of 3-chloro-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide?
3-chloro-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide has a molecular weight of 325.76 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 4120444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).