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

C18H15FN6S — CID 143638501

IUPACN,N'-diamino-4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboximidamide
SMILESN/N=C(\NN)c1ccc2c(c1)nc(Nc1ccc(F)cc1)c1ccsc12
InChIInChI=1S/C18H15FN6S/c19-11-2-4-12(5-3-11)22-18-14-7-8-26-16(14)13-6-1-10(9-15(13)23-18)17(24-20)25-21/h1-9H,20-21H2,(H,22,23)(H,24,25)
InChIKeyKIGKHDCRKXDLBD-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.42
Rot. Bonds3

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

N,N'-diamino-4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboximidamide (PubChem CID 143638501) has the molecular formula C18H15FN6S and a molecular weight of 366.43 g/mol. Its IUPAC name is N,N'-diamino-4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboximidamide.

Molecular Properties

Compound NameN,N'-diamino-4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboximidamide
PubChem CID143638501
Molecular FormulaC18H15FN6S
Molecular Weight366.43 g/mol
Exact Mass366.11
IUPAC NameN,N'-diamino-4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboximidamide
SMILESN/N=C(\NN)c1ccc2c(c1)nc(Nc1ccc(F)cc1)c1ccsc12
InChIInChI=1S/C18H15FN6S/c19-11-2-4-12(5-3-11)22-18-14-7-8-26-16(14)13-6-1-10(9-15(13)23-18)17(24-20)25-21/h1-9H,20-21H2,(H,22,23)(H,24,25)
InChIKeyKIGKHDCRKXDLBD-UHFFFAOYSA-N
XLogP3.42
TPSA101.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.42
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboximidamide?
The IUPAC name of N,N'-diamino-4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboximidamide (CID 143638501) is N,N'-diamino-4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboximidamide.
What is the SMILES notation for N,N'-diamino-4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboximidamide?
The canonical SMILES for N,N'-diamino-4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboximidamide is N/N=C(\NN)c1ccc2c(c1)nc(Nc1ccc(F)cc1)c1ccsc12.
What is the InChIKey of N,N'-diamino-4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboximidamide?
The InChIKey is KIGKHDCRKXDLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6S/c19-11-2-4-12(5-3-11)22-18-14-7-8-26-16(14)13-6-1-10(9-15(13)23-18)17(24-20)25-21/h1-9H,20-21H2,(H,22,23)(H,24,25).
What are the key properties of N,N'-diamino-4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboximidamide?
N,N'-diamino-4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboximidamide has a molecular weight of 366.43 g/mol, XLogP of 3.42, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboximidamide is sourced from PubChem (CID 143638501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).