N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide

C20H16N4OS — CID 6873662

IUPACN-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCn1cccc1/C=N/NC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H16N4OS/c1-24-10-4-6-14(24)13-21-23-20(25)16-12-18(19-9-5-11-26-19)22-17-8-3-2-7-15(16)17/h2-13H,1H3,(H,23,25)/b21-13+
InChIKeyJZKBELWWAKACNN-FYJGNVAPSA-N
MW360.44 g/mol
LogP4.07
Rot. Bonds4

About N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide

N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 6873662) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID6873662
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC NameN-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCn1cccc1/C=N/NC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H16N4OS/c1-24-10-4-6-14(24)13-21-23-20(25)16-12-18(19-9-5-11-26-19)22-17-8-3-2-7-15(16)17/h2-13H,1H3,(H,23,25)/b21-13+
InChIKeyJZKBELWWAKACNN-FYJGNVAPSA-N
XLogP4.07
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', '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-[(4-tert-butylphenyl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2348445
N-(furan-2-ylmethylideneamino)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3469190
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
CID 6874751
N-[(E)-1H-indol-3-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
CID 135501387
[2,6-dimethoxy-4-[[(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinylidene]methyl]phenyl] acetate
CID 4209915
2-(2-hydroxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide
CID 135647432
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide
CID 6880392
N-[(E)-thiophen-2-ylmethylideneamino]-2-[4-(thiophen-2-ylmethylideneamino)phenyl]quinoline-4-carboxamide
CID 6882954
N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2313908
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261855

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide (CID 6873662) is N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide is Cn1cccc1/C=N/NC(=O)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is JZKBELWWAKACNN-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-24-10-4-6-14(24)13-21-23-20(25)16-12-18(19-9-5-11-26-19)22-17-8-3-2-7-15(16)17/h2-13H,1H3,(H,23,25)/b21-13+.
What are the key properties of N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 6873662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).