2-phenyl-N'-(thiophene-2-carbonyl)quinoline-4-carbohydrazide

C21H15N3O2S — CID 7600821

IUPAC2-phenyl-N'-(thiophene-2-carbonyl)quinoline-4-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccs1
InChIInChI=1S/C21H15N3O2S/c25-20(23-24-21(26)19-11-6-12-27-19)16-13-18(14-7-2-1-3-8-14)22-17-10-5-4-9-15(16)17/h1-13H,(H,23,25)(H,24,26)
InChIKeyQIEXUDKVWAEHBE-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.04
Rot. Bonds3

About 2-phenyl-N'-(thiophene-2-carbonyl)quinoline-4-carbohydrazide

2-phenyl-N'-(thiophene-2-carbonyl)quinoline-4-carbohydrazide (PubChem CID 7600821) has the molecular formula C21H15N3O2S and a molecular weight of 373.44 g/mol. Its IUPAC name is 2-phenyl-N'-(thiophene-2-carbonyl)quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-phenyl-N'-(thiophene-2-carbonyl)quinoline-4-carbohydrazide
PubChem CID7600821
Molecular FormulaC21H15N3O2S
Molecular Weight373.44 g/mol
Exact Mass373.09
IUPAC Name2-phenyl-N'-(thiophene-2-carbonyl)quinoline-4-carbohydrazide
SMILESO=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccs1
InChIInChI=1S/C21H15N3O2S/c25-20(23-24-21(26)19-11-6-12-27-19)16-13-18(14-7-2-1-3-8-14)22-17-10-5-4-9-15(16)17/h1-13H,(H,23,25)(H,24,26)
InChIKeyQIEXUDKVWAEHBE-UHFFFAOYSA-N
XLogP4.04
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[2-[2-[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 35699410
6-chloro-2-phenyl-N-[(thiophene-2-carbonylamino)carbamothioyl]quinoline-4-carboxamide
CID 86655537
2-methyl-6-phenyl-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide
CID 27614274
1-phenyl-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea
CID 1354577
N'-(2-methoxybenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 6734416
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylpropylideneamino]quinoline-4-carboxamide
CID 6162815
N'-(5-methylthiophene-2-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide
CID 27679654
N'-(4-nitrobenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 3126530
N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2313908

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N'-(thiophene-2-carbonyl)quinoline-4-carbohydrazide?
The IUPAC name of 2-phenyl-N'-(thiophene-2-carbonyl)quinoline-4-carbohydrazide (CID 7600821) is 2-phenyl-N'-(thiophene-2-carbonyl)quinoline-4-carbohydrazide.
What is the SMILES notation for 2-phenyl-N'-(thiophene-2-carbonyl)quinoline-4-carbohydrazide?
The canonical SMILES for 2-phenyl-N'-(thiophene-2-carbonyl)quinoline-4-carbohydrazide is O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccs1.
What is the InChIKey of 2-phenyl-N'-(thiophene-2-carbonyl)quinoline-4-carbohydrazide?
The InChIKey is QIEXUDKVWAEHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2S/c25-20(23-24-21(26)19-11-6-12-27-19)16-13-18(14-7-2-1-3-8-14)22-17-10-5-4-9-15(16)17/h1-13H,(H,23,25)(H,24,26).
What are the key properties of 2-phenyl-N'-(thiophene-2-carbonyl)quinoline-4-carbohydrazide?
2-phenyl-N'-(thiophene-2-carbonyl)quinoline-4-carbohydrazide has a molecular weight of 373.44 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N'-(thiophene-2-carbonyl)quinoline-4-carbohydrazide is sourced from PubChem (CID 7600821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).