N,N'-diamino-4-(4-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide

C19H18N6OS — CID 143638405

IUPACN,N'-diamino-4-(4-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide
SMILESCOc1ccc(Nc2nc3cc(/C(=N/N)NN)ccc3c3sccc23)cc1
InChIInChI=1S/C19H18N6OS/c1-26-13-5-3-12(4-6-13)22-19-15-8-9-27-17(15)14-7-2-11(10-16(14)23-19)18(24-20)25-21/h2-10H,20-21H2,1H3,(H,22,23)(H,24,25)
InChIKeyQZBXQWJABODPQE-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.29
Rot. Bonds4

About N,N'-diamino-4-(4-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide

N,N'-diamino-4-(4-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide (PubChem CID 143638405) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is N,N'-diamino-4-(4-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide.

Molecular Properties

Compound NameN,N'-diamino-4-(4-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide
PubChem CID143638405
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC NameN,N'-diamino-4-(4-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide
SMILESCOc1ccc(Nc2nc3cc(/C(=N/N)NN)ccc3c3sccc23)cc1
InChIInChI=1S/C19H18N6OS/c1-26-13-5-3-12(4-6-13)22-19-15-8-9-27-17(15)14-7-2-11(10-16(14)23-19)18(24-20)25-21/h2-10H,20-21H2,1H3,(H,22,23)(H,24,25)
InChIKeyQZBXQWJABODPQE-UHFFFAOYSA-N
XLogP3.29
TPSA110.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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

N,N'-diamino-4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboximidamide
CID 143638501
N'-amino-4-(4-fluoro-3-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide
CID 143638374
N'-amino-4-(3-ethoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide
CID 143638450
N'-amino-4-(3-formylanilino)thieno[3,2-c]quinoline-7-carboximidamide
CID 143638398
[[amino-[4-(3,5-difluoroanilino)thieno[3,2-c]quinolin-7-yl]methylidene]hydrazinylidene]azanium
CID 147805675
N-(3,5-dimethoxyphenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine
CID 118009879
N'-amino-4-(2-hydroxyethylamino)thieno[3,2-c]quinoline-7-carboximidamide
CID 143858026
N-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4-amine
CID 71193819
4-anilinothieno[3,2-c]quinoline-7-carbonitrile
CID 50941655
3-[[7-[(Z)-N-aminocarbamohydrazonoyl]thieno[3,2-c]quinolin-5-ium-4-yl]amino]-N-methylbenzamide
CID 143638436
4-(3-chloro-5-fluoroanilino)-N'-diazenylthieno[3,2-c]quinoline-7-carboximidamide
CID 136628356
2-chloro-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 112750193

Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-4-(4-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide?
The IUPAC name of N,N'-diamino-4-(4-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide (CID 143638405) is N,N'-diamino-4-(4-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide.
What is the SMILES notation for N,N'-diamino-4-(4-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide?
The canonical SMILES for N,N'-diamino-4-(4-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide is COc1ccc(Nc2nc3cc(/C(=N/N)NN)ccc3c3sccc23)cc1.
What is the InChIKey of N,N'-diamino-4-(4-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide?
The InChIKey is QZBXQWJABODPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS/c1-26-13-5-3-12(4-6-13)22-19-15-8-9-27-17(15)14-7-2-11(10-16(14)23-19)18(24-20)25-21/h2-10H,20-21H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N,N'-diamino-4-(4-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide?
N,N'-diamino-4-(4-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide has a molecular weight of 378.46 g/mol, XLogP of 3.29, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-4-(4-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide is sourced from PubChem (CID 143638405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).