N'-(cyclohepten-1-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide

C21H21N3OS — CID 2327036

IUPACN'-(cyclohepten-1-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide
SMILESO=C(NNC1=CCCCCC1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C21H21N3OS/c25-21(24-23-15-8-3-1-2-4-9-15)17-14-19(20-12-7-13-26-20)22-18-11-6-5-10-16(17)18/h5-8,10-14,23H,1-4,9H2,(H,24,25)
InChIKeyZMTNGKDSFXJTNK-UHFFFAOYSA-N
MW363.49 g/mol
LogP5.05
Rot. Bonds4

About N'-(cyclohepten-1-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide

N'-(cyclohepten-1-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide (PubChem CID 2327036) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is N'-(cyclohepten-1-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-(cyclohepten-1-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide
PubChem CID2327036
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC NameN'-(cyclohepten-1-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide
SMILESO=C(NNC1=CCCCCC1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C21H21N3OS/c25-21(24-23-15-8-3-1-2-4-9-15)17-14-19(20-12-7-13-26-20)22-18-11-6-5-10-16(17)18/h5-8,10-14,23H,1-4,9H2,(H,24,25)
InChIKeyZMTNGKDSFXJTNK-UHFFFAOYSA-N
XLogP5.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.49
LogP ≤ 55.05
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'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
N'-(cyclopenten-1-yl)-2-(4-fluorophenyl)quinoline-4-carbohydrazide
CID 2318990
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 24598219
N'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 31835498
N'-(4-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 15944884
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 120946099
N-(pyrrolidin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
CID 119509830
N-(piperidin-3-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
CID 119459873
N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 15944885
N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962
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'-(cyclohepten-1-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide?
The IUPAC name of N'-(cyclohepten-1-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide (CID 2327036) is N'-(cyclohepten-1-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide.
What is the SMILES notation for N'-(cyclohepten-1-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide?
The canonical SMILES for N'-(cyclohepten-1-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide is O=C(NNC1=CCCCCC1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N'-(cyclohepten-1-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide?
The InChIKey is ZMTNGKDSFXJTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3OS/c25-21(24-23-15-8-3-1-2-4-9-15)17-14-19(20-12-7-13-26-20)22-18-11-6-5-10-16(17)18/h5-8,10-14,23H,1-4,9H2,(H,24,25).
What are the key properties of N'-(cyclohepten-1-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide?
N'-(cyclohepten-1-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide has a molecular weight of 363.49 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohepten-1-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide is sourced from PubChem (CID 2327036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).