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

C16H20ClN5OS — CID 173270708

IUPAC1-hydroxy-2-[(Z)-[4-methyl-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
SMILESCc1ccc(C2C/C(=N/N=C(N)NO)c3c(C)ccnc3C2)s1.Cl
InChIInChI=1S/C16H19N5OS.ClH/c1-9-5-6-18-12-7-11(14-4-3-10(2)23-14)8-13(15(9)12)19-20-16(17)21-22;/h3-6,11,22H,7-8H2,1-2H3,(H3,17,20,21);1H/b19-13-;
InChIKeyLFPMXZHETUIVND-OKOHOLKASA-N
MW365.89 g/mol
LogP2.91
Rot. Bonds2

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

1-hydroxy-2-[(Z)-[4-methyl-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride (PubChem CID 173270708) has the molecular formula C16H20ClN5OS and a molecular weight of 365.89 g/mol. Its IUPAC name is 1-hydroxy-2-[(Z)-[4-methyl-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride.

Molecular Properties

Compound Name1-hydroxy-2-[(Z)-[4-methyl-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
PubChem CID173270708
Molecular FormulaC16H20ClN5OS
Molecular Weight365.89 g/mol
Exact Mass365.11
IUPAC Name1-hydroxy-2-[(Z)-[4-methyl-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
SMILESCc1ccc(C2C/C(=N/N=C(N)NO)c3c(C)ccnc3C2)s1.Cl
InChIInChI=1S/C16H19N5OS.ClH/c1-9-5-6-18-12-7-11(14-4-3-10(2)23-14)8-13(15(9)12)19-20-16(17)21-22;/h3-6,11,22H,7-8H2,1-2H3,(H3,17,20,21);1H/b19-13-;
InChIKeyLFPMXZHETUIVND-OKOHOLKASA-N
XLogP2.91
TPSA95.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 52.91
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-[(Z)-[4-methyl-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride?
The IUPAC name of 1-hydroxy-2-[(Z)-[4-methyl-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride (CID 173270708) is 1-hydroxy-2-[(Z)-[4-methyl-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride.
What is the SMILES notation for 1-hydroxy-2-[(Z)-[4-methyl-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride?
The canonical SMILES for 1-hydroxy-2-[(Z)-[4-methyl-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride is Cc1ccc(C2C/C(=N/N=C(N)NO)c3c(C)ccnc3C2)s1.Cl.
What is the InChIKey of 1-hydroxy-2-[(Z)-[4-methyl-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride?
The InChIKey is LFPMXZHETUIVND-OKOHOLKASA-N. The full InChI is InChI=1S/C16H19N5OS.ClH/c1-9-5-6-18-12-7-11(14-4-3-10(2)23-14)8-13(15(9)12)19-20-16(17)21-22;/h3-6,11,22H,7-8H2,1-2H3,(H3,17,20,21);1H/b19-13-;.
What are the key properties of 1-hydroxy-2-[(Z)-[4-methyl-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride?
1-hydroxy-2-[(Z)-[4-methyl-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride has a molecular weight of 365.89 g/mol, XLogP of 2.91, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-[(Z)-[4-methyl-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride is sourced from PubChem (CID 173270708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).