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

C20H19N5OS — CID 143638450

IUPACN'-amino-4-(3-ethoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide
SMILESCCOc1cccc(Nc2nc3cc(/C(N)=N/N)ccc3c3sccc23)c1
InChIInChI=1S/C20H19N5OS/c1-2-26-14-5-3-4-13(11-14)23-20-16-8-9-27-18(16)15-7-6-12(19(21)25-22)10-17(15)24-20/h3-11H,2,22H2,1H3,(H2,21,25)(H,23,24)
InChIKeyDEVVHPAWGURPAJ-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.17
Rot. Bonds5

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

N'-amino-4-(3-ethoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide (PubChem CID 143638450) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is N'-amino-4-(3-ethoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide.

Molecular Properties

Compound NameN'-amino-4-(3-ethoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide
PubChem CID143638450
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC NameN'-amino-4-(3-ethoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide
SMILESCCOc1cccc(Nc2nc3cc(/C(N)=N/N)ccc3c3sccc23)c1
InChIInChI=1S/C20H19N5OS/c1-2-26-14-5-3-4-13(11-14)23-20-16-8-9-27-18(16)15-7-6-12(19(21)25-22)10-17(15)24-20/h3-11H,2,22H2,1H3,(H2,21,25)(H,23,24)
InChIKeyDEVVHPAWGURPAJ-UHFFFAOYSA-N
XLogP4.17
TPSA98.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'-amino-4-(3-formylanilino)thieno[3,2-c]quinoline-7-carboximidamide
CID 143638398
N'-amino-4-(2-hydroxyethylamino)thieno[3,2-c]quinoline-7-carboximidamide
CID 143858026
N,N'-diamino-4-(4-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide
CID 143638405
[[amino-[4-(3,5-difluoroanilino)thieno[3,2-c]quinolin-7-yl]methylidene]hydrazinylidene]azanium
CID 147805675
N,N'-diamino-4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboximidamide
CID 143638501
3-[[7-(N'-diazenylcarbamimidoyl)thieno[3,2-c]quinolin-4-yl]amino]-N-(2-imino-4-oxopentyl)benzamide
CID 136635962
4-(3-chloro-5-fluoroanilino)-N'-diazenylthieno[3,2-c]quinoline-7-carboximidamide
CID 136628356
ethyl 3-[[7-(4H-triazol-5-yl)thieno[3,2-c]quinolin-4-yl]amino]benzoate;3-[[7-(4H-triazol-5-yl)thieno[3,2-c]quinolin-4-yl]amino]benzoic acid
CID 159820924
N'-amino-5-(4-chloro-3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboximidamide
CID 143638479
N,N'-diamino-4-(3,5-difluoroanilino)thieno[2,3-c]quinoline-7-carboximidamide
CID 143858013
4-anilinothieno[3,2-c]quinoline-7-carbonitrile
CID 50941655
N-(3,5-dimethoxyphenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine
CID 118009879

Frequently Asked Questions

What is the IUPAC name of N'-amino-4-(3-ethoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide?
The IUPAC name of N'-amino-4-(3-ethoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide (CID 143638450) is N'-amino-4-(3-ethoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide.
What is the SMILES notation for N'-amino-4-(3-ethoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide?
The canonical SMILES for N'-amino-4-(3-ethoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide is CCOc1cccc(Nc2nc3cc(/C(N)=N/N)ccc3c3sccc23)c1.
What is the InChIKey of N'-amino-4-(3-ethoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide?
The InChIKey is DEVVHPAWGURPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-2-26-14-5-3-4-13(11-14)23-20-16-8-9-27-18(16)15-7-6-12(19(21)25-22)10-17(15)24-20/h3-11H,2,22H2,1H3,(H2,21,25)(H,23,24).
What are the key properties of N'-amino-4-(3-ethoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide?
N'-amino-4-(3-ethoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide has a molecular weight of 377.47 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-(3-ethoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide is sourced from PubChem (CID 143638450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).