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

C16H18ClN5S — CID 57184638

IUPAC2-[[7-(3-chloro-5-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
SMILESCc1cc(Cl)c(C2CC(=NN=C(N)N)c3c(C)ccnc3C2)s1
InChIInChI=1S/C16H18ClN5S/c1-8-3-4-20-12-6-10(15-11(17)5-9(2)23-15)7-13(14(8)12)21-22-16(18)19/h3-5,10H,6-7H2,1-2H3,(H4,18,19,22)
InChIKeyDZWSYZAAAFOIHB-UHFFFAOYSA-N
MW347.88 g/mol
LogP3.12
Rot. Bonds2

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

2-[[7-(3-chloro-5-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine (PubChem CID 57184638) has the molecular formula C16H18ClN5S and a molecular weight of 347.88 g/mol. Its IUPAC name is 2-[[7-(3-chloro-5-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine.

Molecular Properties

Compound Name2-[[7-(3-chloro-5-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
PubChem CID57184638
Molecular FormulaC16H18ClN5S
Molecular Weight347.88 g/mol
Exact Mass347.10
IUPAC Name2-[[7-(3-chloro-5-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
SMILESCc1cc(Cl)c(C2CC(=NN=C(N)N)c3c(C)ccnc3C2)s1
InChIInChI=1S/C16H18ClN5S/c1-8-3-4-20-12-6-10(15-11(17)5-9(2)23-15)7-13(14(8)12)21-22-16(18)19/h3-5,10H,6-7H2,1-2H3,(H4,18,19,22)
InChIKeyDZWSYZAAAFOIHB-UHFFFAOYSA-N
XLogP3.12
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.88
LogP ≤ 53.12
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)-[7-(5-chloro-3-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 18317752
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-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
CID 57059464
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-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 18317321
2-[(Z)-[4-methyl-7-(1,3-thiazol-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 18317491
2-[[7-(5-chloro-2-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
CID 57267895
2-[[7-(2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 70162401
1-hydroxy-2-[(Z)-[4-methyl-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 173270708
2-[[7-(5-fluoro-2-methoxyphenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 70162430

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(3-chloro-5-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine?
The IUPAC name of 2-[[7-(3-chloro-5-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine (CID 57184638) is 2-[[7-(3-chloro-5-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine.
What is the SMILES notation for 2-[[7-(3-chloro-5-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine?
The canonical SMILES for 2-[[7-(3-chloro-5-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine is Cc1cc(Cl)c(C2CC(=NN=C(N)N)c3c(C)ccnc3C2)s1.
What is the InChIKey of 2-[[7-(3-chloro-5-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine?
The InChIKey is DZWSYZAAAFOIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5S/c1-8-3-4-20-12-6-10(15-11(17)5-9(2)23-15)7-13(14(8)12)21-22-16(18)19/h3-5,10H,6-7H2,1-2H3,(H4,18,19,22).
What are the key properties of 2-[[7-(3-chloro-5-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine?
2-[[7-(3-chloro-5-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine has a molecular weight of 347.88 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(3-chloro-5-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine is sourced from PubChem (CID 57184638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).