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

C17H12IN3O2 — CID 135615366

IUPAC2-iodo-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1ccccc1I
InChIInChI=1S/C17H12IN3O2/c18-14-7-3-2-6-13(14)17(23)21-19-10-12-9-11-5-1-4-8-15(11)20-16(12)22/h1-10H,(H,20,22)(H,21,23)/b19-10+
InChIKeyMHECQVIAXMPDQW-VXLYETTFSA-N
MW417.21 g/mol
LogP2.90
Rot. Bonds3

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

2-iodo-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide (PubChem CID 135615366) has the molecular formula C17H12IN3O2 and a molecular weight of 417.21 g/mol. Its IUPAC name is 2-iodo-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-iodo-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
PubChem CID135615366
Molecular FormulaC17H12IN3O2
Molecular Weight417.21 g/mol
Exact Mass417.00
IUPAC Name2-iodo-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1ccccc1I
InChIInChI=1S/C17H12IN3O2/c18-14-7-3-2-6-13(14)17(23)21-19-10-12-9-11-5-1-4-8-15(11)20-16(12)22/h1-10H,(H,20,22)(H,21,23)/b19-10+
InChIKeyMHECQVIAXMPDQW-VXLYETTFSA-N
XLogP2.90
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.21
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]thiophene-2-carboxamide
CID 136782120
3-chloro-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 4120444
N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide
CID 5164609
2-[(4-chlorophenyl)methoxy]-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 136503674
3-methoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135685127
N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide
CID 136503680
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(2-oxo-1H-quinolin-3-yl)methylideneamino]oxamide
CID 4595859
N-(4-chlorophenyl)-N'-[(2-oxo-1H-quinolin-3-yl)methylideneamino]oxamide
CID 5103569
4-butoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135752255
1-(4-fluorophenyl)-3-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]thiourea
CID 135731168
4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 136911857
4-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 3586346

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide?
The IUPAC name of 2-iodo-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide (CID 135615366) is 2-iodo-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-iodo-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide?
The canonical SMILES for 2-iodo-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide is O=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide?
The InChIKey is MHECQVIAXMPDQW-VXLYETTFSA-N. The full InChI is InChI=1S/C17H12IN3O2/c18-14-7-3-2-6-13(14)17(23)21-19-10-12-9-11-5-1-4-8-15(11)20-16(12)22/h1-10H,(H,20,22)(H,21,23)/b19-10+.
What are the key properties of 2-iodo-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide?
2-iodo-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide has a molecular weight of 417.21 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 135615366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).