2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]-1-hydroxyguanidine

C17H17Cl2N5O — CID 57142491

IUPAC2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]-1-hydroxyguanidine
SMILESCc1ccnc2c1C(=NN=C(N)NO)CC(c1cccc(Cl)c1Cl)C2
InChIInChI=1S/C17H17Cl2N5O/c1-9-5-6-21-13-7-10(11-3-2-4-12(18)16(11)19)8-14(15(9)13)22-23-17(20)24-25/h2-6,10,25H,7-8H2,1H3,(H3,20,23,24)
InChIKeyMDQOVYUSIHETIM-UHFFFAOYSA-N
MW378.26 g/mol
LogP3.42
Rot. Bonds2

About 2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]-1-hydroxyguanidine

2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]-1-hydroxyguanidine (PubChem CID 57142491) has the molecular formula C17H17Cl2N5O and a molecular weight of 378.26 g/mol. Its IUPAC name is 2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]-1-hydroxyguanidine
PubChem CID57142491
Molecular FormulaC17H17Cl2N5O
Molecular Weight378.26 g/mol
Exact Mass377.08
IUPAC Name2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]-1-hydroxyguanidine
SMILESCc1ccnc2c1C(=NN=C(N)NO)CC(c1cccc(Cl)c1Cl)C2
InChIInChI=1S/C17H17Cl2N5O/c1-9-5-6-21-13-7-10(11-3-2-4-12(18)16(11)19)8-14(15(9)13)22-23-17(20)24-25/h2-6,10,25H,7-8H2,1H3,(H3,20,23,24)
InChIKeyMDQOVYUSIHETIM-UHFFFAOYSA-N
XLogP3.42
TPSA95.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 53.42
H-Bond Donors ≤ 53
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-[[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]-1-hydroxyguanidine
CID 173270496
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)-[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
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-[(Z)-[7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 18317321
2-[[7-(3-chloro-5-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
CID 57184638
2-[[7-(2,5-dibromothiophen-3-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
CID 57122097
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

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]-1-hydroxyguanidine?
The IUPAC name of 2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]-1-hydroxyguanidine (CID 57142491) is 2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]-1-hydroxyguanidine.
What is the SMILES notation for 2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]-1-hydroxyguanidine?
The canonical SMILES for 2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]-1-hydroxyguanidine is Cc1ccnc2c1C(=NN=C(N)NO)CC(c1cccc(Cl)c1Cl)C2.
What is the InChIKey of 2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]-1-hydroxyguanidine?
The InChIKey is MDQOVYUSIHETIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O/c1-9-5-6-21-13-7-10(11-3-2-4-12(18)16(11)19)8-14(15(9)13)22-23-17(20)24-25/h2-6,10,25H,7-8H2,1H3,(H3,20,23,24).
What are the key properties of 2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]-1-hydroxyguanidine?
2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]-1-hydroxyguanidine has a molecular weight of 378.26 g/mol, XLogP of 3.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]-1-hydroxyguanidine is sourced from PubChem (CID 57142491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).