2-[(Z)-[4-methyl-7-(1,3-thiazol-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride

C14H17ClN6S — CID 18317491

IUPAC2-[(Z)-[4-methyl-7-(1,3-thiazol-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
SMILESCc1ccnc2c1/C(=N\N=C(N)N)CC(c1nccs1)C2.Cl
InChIInChI=1S/C14H16N6S.ClH/c1-8-2-3-17-10-6-9(13-18-4-5-21-13)7-11(12(8)10)19-20-14(15)16;/h2-5,9H,6-7H2,1H3,(H4,15,16,20);1H/b19-11-;
InChIKeyRKRNHYAKSLPCRA-XHFAFUTOSA-N
MW336.85 g/mol
LogP1.98
Rot. Bonds2

About 2-[(Z)-[4-methyl-7-(1,3-thiazol-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride

2-[(Z)-[4-methyl-7-(1,3-thiazol-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride (PubChem CID 18317491) has the molecular formula C14H17ClN6S and a molecular weight of 336.85 g/mol. Its IUPAC name is 2-[(Z)-[4-methyl-7-(1,3-thiazol-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(Z)-[4-methyl-7-(1,3-thiazol-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
PubChem CID18317491
Molecular FormulaC14H17ClN6S
Molecular Weight336.85 g/mol
Exact Mass336.09
IUPAC Name2-[(Z)-[4-methyl-7-(1,3-thiazol-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
SMILESCc1ccnc2c1/C(=N\N=C(N)N)CC(c1nccs1)C2.Cl
InChIInChI=1S/C14H16N6S.ClH/c1-8-2-3-17-10-6-9(13-18-4-5-21-13)7-11(12(8)10)19-20-14(15)16;/h2-5,9H,6-7H2,1H3,(H4,15,16,20);1H/b19-11-;
InChIKeyRKRNHYAKSLPCRA-XHFAFUTOSA-N
XLogP1.98
TPSA102.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.85
LogP ≤ 51.98
H-Bond Donors ≤ 52
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-[(Z)-[7-(5-chloro-3-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 18317752
2-[[7-(2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 70162401
2-[[7-(2,5-dibromothiophen-3-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
CID 57122097
2-[[7-(3-chloro-5-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
CID 57184638
2-[(Z)-[7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 18317321
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-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]-1-hydroxyguanidine
CID 57142491
2-[(3-methyl-6-thiophen-2-yl-6,7-dihydro-5H-1-benzofuran-4-ylidene)amino]guanidine;hydrochloride
CID 70161161
2-[[7-(2-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]guanidine
CID 57238782
2-[(Z)-[6-(2-hydroxyphenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ylidene]amino]guanidine;hydrochloride
CID 135581655
2-[(E)-[3-methyl-6-(2-methylphenyl)-1,5,6,7-tetrahydroindol-4-ylidene]amino]guanidine;hydrochloride
CID 135581637

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[4-methyl-7-(1,3-thiazol-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride?
The IUPAC name of 2-[(Z)-[4-methyl-7-(1,3-thiazol-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride (CID 18317491) is 2-[(Z)-[4-methyl-7-(1,3-thiazol-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(Z)-[4-methyl-7-(1,3-thiazol-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride?
The canonical SMILES for 2-[(Z)-[4-methyl-7-(1,3-thiazol-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride is Cc1ccnc2c1/C(=N\N=C(N)N)CC(c1nccs1)C2.Cl.
What is the InChIKey of 2-[(Z)-[4-methyl-7-(1,3-thiazol-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride?
The InChIKey is RKRNHYAKSLPCRA-XHFAFUTOSA-N. The full InChI is InChI=1S/C14H16N6S.ClH/c1-8-2-3-17-10-6-9(13-18-4-5-21-13)7-11(12(8)10)19-20-14(15)16;/h2-5,9H,6-7H2,1H3,(H4,15,16,20);1H/b19-11-;.
What are the key properties of 2-[(Z)-[4-methyl-7-(1,3-thiazol-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride?
2-[(Z)-[4-methyl-7-(1,3-thiazol-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride has a molecular weight of 336.85 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[4-methyl-7-(1,3-thiazol-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride is sourced from PubChem (CID 18317491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).