N'-(7-chloroquinolin-4-yl)cyclohexanecarbohydrazide

C16H18ClN3O — CID 2486780

IUPACN'-(7-chloroquinolin-4-yl)cyclohexanecarbohydrazide
SMILESO=C(NNc1ccnc2cc(Cl)ccc12)C1CCCCC1
InChIInChI=1S/C16H18ClN3O/c17-12-6-7-13-14(8-9-18-15(13)10-12)19-20-16(21)11-4-2-1-3-5-11/h6-11H,1-5H2,(H,18,19)(H,20,21)
InChIKeyVHVQFZLVXHXBAN-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.91
Rot. Bonds3

About N'-(7-chloroquinolin-4-yl)cyclohexanecarbohydrazide

N'-(7-chloroquinolin-4-yl)cyclohexanecarbohydrazide (PubChem CID 2486780) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N'-(7-chloroquinolin-4-yl)cyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-(7-chloroquinolin-4-yl)cyclohexanecarbohydrazide
PubChem CID2486780
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN'-(7-chloroquinolin-4-yl)cyclohexanecarbohydrazide
SMILESO=C(NNc1ccnc2cc(Cl)ccc12)C1CCCCC1
InChIInChI=1S/C16H18ClN3O/c17-12-6-7-13-14(8-9-18-15(13)10-12)19-20-16(21)11-4-2-1-3-5-11/h6-11H,1-5H2,(H,18,19)(H,20,21)
InChIKeyVHVQFZLVXHXBAN-UHFFFAOYSA-N
XLogP3.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(7-chloroquinolin-4-yl)cyclohexanecarbohydrazide?
The IUPAC name of N'-(7-chloroquinolin-4-yl)cyclohexanecarbohydrazide (CID 2486780) is N'-(7-chloroquinolin-4-yl)cyclohexanecarbohydrazide.
What is the SMILES notation for N'-(7-chloroquinolin-4-yl)cyclohexanecarbohydrazide?
The canonical SMILES for N'-(7-chloroquinolin-4-yl)cyclohexanecarbohydrazide is O=C(NNc1ccnc2cc(Cl)ccc12)C1CCCCC1.
What is the InChIKey of N'-(7-chloroquinolin-4-yl)cyclohexanecarbohydrazide?
The InChIKey is VHVQFZLVXHXBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-12-6-7-13-14(8-9-18-15(13)10-12)19-20-16(21)11-4-2-1-3-5-11/h6-11H,1-5H2,(H,18,19)(H,20,21).
What are the key properties of N'-(7-chloroquinolin-4-yl)cyclohexanecarbohydrazide?
N'-(7-chloroquinolin-4-yl)cyclohexanecarbohydrazide has a molecular weight of 303.79 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-chloroquinolin-4-yl)cyclohexanecarbohydrazide is sourced from PubChem (CID 2486780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).