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

C17H17Cl2N5 — CID 57059464

IUPAC2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
SMILESCc1ccnc2c1C(=NN=C(N)N)CC(c1cccc(Cl)c1Cl)C2
InChIInChI=1S/C17H17Cl2N5/c1-9-5-6-22-13-7-10(11-3-2-4-12(18)16(11)19)8-14(15(9)13)23-24-17(20)21/h2-6,10H,7-8H2,1H3,(H4,20,21,24)
InChIKeyCLYURFQWTBFTGL-UHFFFAOYSA-N
MW362.26 g/mol
LogP3.40
Rot. Bonds2

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

2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine (PubChem CID 57059464) has the molecular formula C17H17Cl2N5 and a molecular weight of 362.26 g/mol. Its IUPAC name is 2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine.

Molecular Properties

Compound Name2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
PubChem CID57059464
Molecular FormulaC17H17Cl2N5
Molecular Weight362.26 g/mol
Exact Mass361.09
IUPAC Name2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
SMILESCc1ccnc2c1C(=NN=C(N)N)CC(c1cccc(Cl)c1Cl)C2
InChIInChI=1S/C17H17Cl2N5/c1-9-5-6-22-13-7-10(11-3-2-4-12(18)16(11)19)8-14(15(9)13)23-24-17(20)21/h2-6,10H,7-8H2,1H3,(H4,20,21,24)
InChIKeyCLYURFQWTBFTGL-UHFFFAOYSA-N
XLogP3.40
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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]-1-hydroxyguanidine
CID 57142491
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-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]guanidine
CID 57238782
2-[(E)-[7-(2-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]guanidine
CID 10871191
2-[[7-(2-chlorophenyl)-4-ethoxy-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 70163198
2-[[7-(2,5-dibromothiophen-3-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
CID 57122097
2-[(Z)-[7-(5-chloro-3-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 18317752

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine?
The IUPAC name of 2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine (CID 57059464) is 2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine.
What is the SMILES notation for 2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine?
The canonical SMILES for 2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine is Cc1ccnc2c1C(=NN=C(N)N)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]guanidine?
The InChIKey is CLYURFQWTBFTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5/c1-9-5-6-22-13-7-10(11-3-2-4-12(18)16(11)19)8-14(15(9)13)23-24-17(20)21/h2-6,10H,7-8H2,1H3,(H4,20,21,24).
What are the key properties of 2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine?
2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine has a molecular weight of 362.26 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 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]guanidine is sourced from PubChem (CID 57059464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).