2-[[7-(2-chlorophenyl)-4-ethoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride

C18H21Cl2N5O — CID 70163198

IUPAC2-[[7-(2-chlorophenyl)-4-ethoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
SMILESCCOc1ccnc2c1C(=NN=C(N)N)CC(c1ccccc1Cl)C2.Cl
InChIInChI=1S/C18H20ClN5O.ClH/c1-2-25-16-7-8-22-14-9-11(12-5-3-4-6-13(12)19)10-15(17(14)16)23-24-18(20)21;/h3-8,11H,2,9-10H2,1H3,(H4,20,21,24);1H
InChIKeyGBWOTCLINCSTNQ-UHFFFAOYSA-N
MW394.31 g/mol
LogP3.26
Rot. Bonds4

About 2-[[7-(2-chlorophenyl)-4-ethoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride

2-[[7-(2-chlorophenyl)-4-ethoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride (PubChem CID 70163198) has the molecular formula C18H21Cl2N5O and a molecular weight of 394.31 g/mol. Its IUPAC name is 2-[[7-(2-chlorophenyl)-4-ethoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[[7-(2-chlorophenyl)-4-ethoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
PubChem CID70163198
Molecular FormulaC18H21Cl2N5O
Molecular Weight394.31 g/mol
Exact Mass393.11
IUPAC Name2-[[7-(2-chlorophenyl)-4-ethoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
SMILESCCOc1ccnc2c1C(=NN=C(N)N)CC(c1ccccc1Cl)C2.Cl
InChIInChI=1S/C18H20ClN5O.ClH/c1-2-25-16-7-8-22-14-9-11(12-5-3-4-6-13(12)19)10-15(17(14)16)23-24-18(20)21;/h3-8,11H,2,9-10H2,1H3,(H4,20,21,24);1H
InChIKeyGBWOTCLINCSTNQ-UHFFFAOYSA-N
XLogP3.26
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(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-[(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-[[7-(2-chloro-5-methylphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 70163380
2-[[7-(2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 70162401
2-[[7-(5-chloro-2-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
CID 57267895
2-[(Z)-[7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 18317321
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-1-(3-phenylpropyl)-6,7-dihydro-5H-indazol-4-ylidene]amino]guanidine
CID 18317448
2-[(E)-[6-(2-chlorophenyl)-3-methyl-1-methylsulfonyl-6,7-dihydro-5H-indol-4-ylidene]amino]guanidine
CID 18317316
2-[(E)-[7-(2-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]-1-hydroxyguanidine
CID 173270496

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(2-chlorophenyl)-4-ethoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride?
The IUPAC name of 2-[[7-(2-chlorophenyl)-4-ethoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride (CID 70163198) is 2-[[7-(2-chlorophenyl)-4-ethoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride.
What is the SMILES notation for 2-[[7-(2-chlorophenyl)-4-ethoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride?
The canonical SMILES for 2-[[7-(2-chlorophenyl)-4-ethoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride is CCOc1ccnc2c1C(=NN=C(N)N)CC(c1ccccc1Cl)C2.Cl.
What is the InChIKey of 2-[[7-(2-chlorophenyl)-4-ethoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride?
The InChIKey is GBWOTCLINCSTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O.ClH/c1-2-25-16-7-8-22-14-9-11(12-5-3-4-6-13(12)19)10-15(17(14)16)23-24-18(20)21;/h3-8,11H,2,9-10H2,1H3,(H4,20,21,24);1H.
What are the key properties of 2-[[7-(2-chlorophenyl)-4-ethoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride?
2-[[7-(2-chlorophenyl)-4-ethoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride has a molecular weight of 394.31 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(2-chlorophenyl)-4-ethoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride is sourced from PubChem (CID 70163198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).