N-cyclohexylisoquinoline-3-carbohydrazide;hydrochloride

C16H20ClN3O — CID 160997611

IUPACN-cyclohexylisoquinoline-3-carbohydrazide;hydrochloride
SMILESCl.NN(C(=O)c1cc2ccccc2cn1)C1CCCCC1
InChIInChI=1S/C16H19N3O.ClH/c17-19(14-8-2-1-3-9-14)16(20)15-10-12-6-4-5-7-13(12)11-18-15;/h4-7,10-11,14H,1-3,8-9,17H2;1H
InChIKeyWRHIVOOUZLESHL-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.31
Rot. Bonds2

About N-cyclohexylisoquinoline-3-carbohydrazide;hydrochloride

N-cyclohexylisoquinoline-3-carbohydrazide;hydrochloride (PubChem CID 160997611) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-cyclohexylisoquinoline-3-carbohydrazide;hydrochloride.

Molecular Properties

Compound NameN-cyclohexylisoquinoline-3-carbohydrazide;hydrochloride
PubChem CID160997611
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-cyclohexylisoquinoline-3-carbohydrazide;hydrochloride
SMILESCl.NN(C(=O)c1cc2ccccc2cn1)C1CCCCC1
InChIInChI=1S/C16H19N3O.ClH/c17-19(14-8-2-1-3-9-14)16(20)15-10-12-6-4-5-7-13(12)11-18-15;/h4-7,10-11,14H,1-3,8-9,17H2;1H
InChIKeyWRHIVOOUZLESHL-UHFFFAOYSA-N
XLogP3.31
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-propan-2-ylisoquinoline-3-carboxamide
CID 67428149
N-cyclopentyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
CID 62243189
N-(4-methylcyclohexyl)isoquinoline-3-carboxamide
CID 22136395
ethane;methyl isoquinoline-3-carboxylate
CID 123724655
N,N-dicyclohexyl-6-cyclopropylpyridine-2-carboxamide
CID 57339501
2-N-cyclohexyl-2-N-(2-phenylethyl)pyrazine-2,5-dicarboxamide
CID 137338224
N-cyclohexyl-N-methyl-1,8-naphthyridine-2-carboxamide
CID 70289942
propyl isoquinoline-3-carboxylate
CID 162715167
N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]isoquinoline-3-carboxamide
CID 95194154
N-(1-butylsulfanylpiperidin-4-yl)-N-(oxetan-2-ylmethyl)isoquinoline-3-carboxamide
CID 170623052
(3-methylpyrrolidin-1-yl)methyl isoquinoline-3-carboxylate
CID 127256928
2-N-cycloheptyl-2-N-methylpyridine-2,5-dicarboxamide
CID 51098301

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylisoquinoline-3-carbohydrazide;hydrochloride?
The IUPAC name of N-cyclohexylisoquinoline-3-carbohydrazide;hydrochloride (CID 160997611) is N-cyclohexylisoquinoline-3-carbohydrazide;hydrochloride.
What is the SMILES notation for N-cyclohexylisoquinoline-3-carbohydrazide;hydrochloride?
The canonical SMILES for N-cyclohexylisoquinoline-3-carbohydrazide;hydrochloride is Cl.NN(C(=O)c1cc2ccccc2cn1)C1CCCCC1.
What is the InChIKey of N-cyclohexylisoquinoline-3-carbohydrazide;hydrochloride?
The InChIKey is WRHIVOOUZLESHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.ClH/c17-19(14-8-2-1-3-9-14)16(20)15-10-12-6-4-5-7-13(12)11-18-15;/h4-7,10-11,14H,1-3,8-9,17H2;1H.
What are the key properties of N-cyclohexylisoquinoline-3-carbohydrazide;hydrochloride?
N-cyclohexylisoquinoline-3-carbohydrazide;hydrochloride has a molecular weight of 305.81 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylisoquinoline-3-carbohydrazide;hydrochloride is sourced from PubChem (CID 160997611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).