N-(4-chlorophenyl)-N'-[(2-oxo-1H-quinolin-3-yl)methylideneamino]oxamide

C18H13ClN4O3 — CID 5103569

IUPACN-(4-chlorophenyl)-N'-[(2-oxo-1H-quinolin-3-yl)methylideneamino]oxamide
SMILESO=C(NN=Cc1cc2ccccc2[nH]c1=O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN4O3/c19-13-5-7-14(8-6-13)21-17(25)18(26)23-20-10-12-9-11-3-1-2-4-15(11)22-16(12)24/h1-10H,(H,21,25)(H,22,24)(H,23,26)
InChIKeyVOICOALWNIWQIR-UHFFFAOYSA-N
MW368.78 g/mol
LogP2.27
Rot. Bonds3

About N-(4-chlorophenyl)-N'-[(2-oxo-1H-quinolin-3-yl)methylideneamino]oxamide

N-(4-chlorophenyl)-N'-[(2-oxo-1H-quinolin-3-yl)methylideneamino]oxamide (PubChem CID 5103569) has the molecular formula C18H13ClN4O3 and a molecular weight of 368.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-[(2-oxo-1H-quinolin-3-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-[(2-oxo-1H-quinolin-3-yl)methylideneamino]oxamide
PubChem CID5103569
Molecular FormulaC18H13ClN4O3
Molecular Weight368.78 g/mol
Exact Mass368.07
IUPAC NameN-(4-chlorophenyl)-N'-[(2-oxo-1H-quinolin-3-yl)methylideneamino]oxamide
SMILESO=C(NN=Cc1cc2ccccc2[nH]c1=O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H13ClN4O3/c19-13-5-7-14(8-6-13)21-17(25)18(26)23-20-10-12-9-11-3-1-2-4-15(11)22-16(12)24/h1-10H,(H,21,25)(H,22,24)(H,23,26)
InChIKeyVOICOALWNIWQIR-UHFFFAOYSA-N
XLogP2.27
TPSA103.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.78
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(2-oxo-1H-quinolin-3-yl)methylideneamino]oxamide
CID 4595859
3-chloro-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 4120444
4-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 3586346
2-(4-chlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide
CID 135752432
2-[(4-chlorophenyl)sulfonylamino]-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 4058223
1-(4-fluorophenyl)-3-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]thiourea
CID 135731168
2-[(4-chlorophenyl)methoxy]-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 136503674
N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]thiophene-2-carboxamide
CID 136782120
3-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 3548423
2-(2,4-dichlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide
CID 135615241
2-iodo-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135615366
N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide
CID 136503680

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-[(2-oxo-1H-quinolin-3-yl)methylideneamino]oxamide?
The IUPAC name of N-(4-chlorophenyl)-N'-[(2-oxo-1H-quinolin-3-yl)methylideneamino]oxamide (CID 5103569) is N-(4-chlorophenyl)-N'-[(2-oxo-1H-quinolin-3-yl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N'-[(2-oxo-1H-quinolin-3-yl)methylideneamino]oxamide?
The canonical SMILES for N-(4-chlorophenyl)-N'-[(2-oxo-1H-quinolin-3-yl)methylideneamino]oxamide is O=C(NN=Cc1cc2ccccc2[nH]c1=O)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N'-[(2-oxo-1H-quinolin-3-yl)methylideneamino]oxamide?
The InChIKey is VOICOALWNIWQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O3/c19-13-5-7-14(8-6-13)21-17(25)18(26)23-20-10-12-9-11-3-1-2-4-15(11)22-16(12)24/h1-10H,(H,21,25)(H,22,24)(H,23,26).
What are the key properties of N-(4-chlorophenyl)-N'-[(2-oxo-1H-quinolin-3-yl)methylideneamino]oxamide?
N-(4-chlorophenyl)-N'-[(2-oxo-1H-quinolin-3-yl)methylideneamino]oxamide has a molecular weight of 368.78 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-[(2-oxo-1H-quinolin-3-yl)methylideneamino]oxamide is sourced from PubChem (CID 5103569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).