N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]thiophene-2-carboxamide

C15H11N3O2S — CID 136782120

IUPACN-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C\c1cc2ccccc2[nH]c1=O)c1cccs1
InChIInChI=1S/C15H11N3O2S/c19-14-11(8-10-4-1-2-5-12(10)17-14)9-16-18-15(20)13-6-3-7-21-13/h1-9H,(H,17,19)(H,18,20)/b16-9-
InChIKeyJDCOOLSUBPIPKF-SXGWCWSVSA-N
MW297.34 g/mol
LogP2.35
Rot. Bonds3

About N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]thiophene-2-carboxamide

N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]thiophene-2-carboxamide (PubChem CID 136782120) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]thiophene-2-carboxamide
PubChem CID136782120
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC NameN-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C\c1cc2ccccc2[nH]c1=O)c1cccs1
InChIInChI=1S/C15H11N3O2S/c19-14-11(8-10-4-1-2-5-12(10)17-14)9-16-18-15(20)13-6-3-7-21-13/h1-9H,(H,17,19)(H,18,20)/b16-9-
InChIKeyJDCOOLSUBPIPKF-SXGWCWSVSA-N
XLogP2.35
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
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

2-iodo-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135615366
3-chloro-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 4120444
3-methoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135685127
N-(4-chlorophenyl)-N'-[(2-oxo-1H-quinolin-3-yl)methylideneamino]oxamide
CID 5103569
N-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide
CID 6910346
N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide
CID 136503680
4-butoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135752255
N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide
CID 5164609
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
2-(4-chlorophenoxy)-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]propanamide
CID 135752432

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]thiophene-2-carboxamide (CID 136782120) is N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]thiophene-2-carboxamide is O=C(N/N=C\c1cc2ccccc2[nH]c1=O)c1cccs1.
What is the InChIKey of N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is JDCOOLSUBPIPKF-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H11N3O2S/c19-14-11(8-10-4-1-2-5-12(10)17-14)9-16-18-15(20)13-6-3-7-21-13/h1-9H,(H,17,19)(H,18,20)/b16-9-.
What are the key properties of N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]thiophene-2-carboxamide?
N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 297.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 136782120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).