2-[(E)-[7-(2-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]-1-hydroxyguanidine

C16H17ClN6O — CID 173270496

IUPAC2-[(E)-[7-(2-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]-1-hydroxyguanidine
SMILESCc1cnnc2c1/C(=N/N=C(N)NO)CC(c1ccccc1Cl)C2
InChIInChI=1S/C16H17ClN6O/c1-9-8-19-20-13-6-10(11-4-2-3-5-12(11)17)7-14(15(9)13)21-22-16(18)23-24/h2-5,8,10,24H,6-7H2,1H3,(H3,18,22,23)/b21-14+
InChIKeyFWFUAGLMYMSKPL-KGENOOAVSA-N
MW344.81 g/mol
LogP2.17
Rot. Bonds2

About 2-[(E)-[7-(2-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]-1-hydroxyguanidine

2-[(E)-[7-(2-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]-1-hydroxyguanidine (PubChem CID 173270496) has the molecular formula C16H17ClN6O and a molecular weight of 344.81 g/mol. Its IUPAC name is 2-[(E)-[7-(2-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[(E)-[7-(2-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]-1-hydroxyguanidine
PubChem CID173270496
Molecular FormulaC16H17ClN6O
Molecular Weight344.81 g/mol
Exact Mass344.12
IUPAC Name2-[(E)-[7-(2-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]-1-hydroxyguanidine
SMILESCc1cnnc2c1/C(=N/N=C(N)NO)CC(c1ccccc1Cl)C2
InChIInChI=1S/C16H17ClN6O/c1-9-8-19-20-13-6-10(11-4-2-3-5-12(11)17)7-14(15(9)13)21-22-16(18)23-24/h2-5,8,10,24H,6-7H2,1H3,(H3,18,22,23)/b21-14+
InChIKeyFWFUAGLMYMSKPL-KGENOOAVSA-N
XLogP2.17
TPSA108.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[7-(2-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]guanidine
CID 10871191
2-[[7-(2-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]guanidine
CID 57238782
2-[(E)-[7-(2,5-dichlorothiophen-3-yl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]-1-hydroxyguanidine
CID 173270499
2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]-1-hydroxyguanidine
CID 57142491
2-[(Z)-[6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-2,1-benzoxazol-4-ylidene]amino]guanidine;hydrochloride
CID 18317798
2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
CID 57059464
2-[[7-(2-chlorophenyl)-4-ethoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 70163198
1-hydroxy-2-[(Z)-[4-methyl-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 173270708
2-[(E)-[6-(2-chlorophenyl)-3-methyl-1-methylsulfonyl-6,7-dihydro-5H-indol-4-ylidene]amino]guanidine
CID 18317316
2-[(E)-[7-(2,5-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
CID 10981304
2-[[7-(2-chloro-5-methylphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
CID 57149116
1-[(Z)-[6-(2-chlorophenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]-2-methylguanidine;hydrochloride
CID 135581645

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[7-(2-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]-1-hydroxyguanidine?
The IUPAC name of 2-[(E)-[7-(2-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]-1-hydroxyguanidine (CID 173270496) is 2-[(E)-[7-(2-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]-1-hydroxyguanidine.
What is the SMILES notation for 2-[(E)-[7-(2-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]-1-hydroxyguanidine?
The canonical SMILES for 2-[(E)-[7-(2-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]-1-hydroxyguanidine is Cc1cnnc2c1/C(=N/N=C(N)NO)CC(c1ccccc1Cl)C2.
What is the InChIKey of 2-[(E)-[7-(2-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]-1-hydroxyguanidine?
The InChIKey is FWFUAGLMYMSKPL-KGENOOAVSA-N. The full InChI is InChI=1S/C16H17ClN6O/c1-9-8-19-20-13-6-10(11-4-2-3-5-12(11)17)7-14(15(9)13)21-22-16(18)23-24/h2-5,8,10,24H,6-7H2,1H3,(H3,18,22,23)/b21-14+.
What are the key properties of 2-[(E)-[7-(2-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]-1-hydroxyguanidine?
2-[(E)-[7-(2-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]-1-hydroxyguanidine has a molecular weight of 344.81 g/mol, XLogP of 2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[7-(2-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]-1-hydroxyguanidine is sourced from PubChem (CID 173270496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).