N,N'-diamino-4-(3,5-difluoroanilino)thieno[2,3-c]quinoline-7-carboximidamide

C18H14F2N6S — CID 143858013

IUPACN,N'-diamino-4-(3,5-difluoroanilino)thieno[2,3-c]quinoline-7-carboximidamide
SMILESN/N=C(\NN)c1ccc2c(c1)nc(Nc1cc(F)cc(F)c1)c1sccc12
InChIInChI=1S/C18H14F2N6S/c19-10-6-11(20)8-12(7-10)23-18-16-14(3-4-27-16)13-2-1-9(5-15(13)24-18)17(25-21)26-22/h1-8H,21-22H2,(H,23,24)(H,25,26)
InChIKeyJJTGJEZIKBBCQE-UHFFFAOYSA-N
MW384.42 g/mol
LogP3.55
Rot. Bonds3

About N,N'-diamino-4-(3,5-difluoroanilino)thieno[2,3-c]quinoline-7-carboximidamide

N,N'-diamino-4-(3,5-difluoroanilino)thieno[2,3-c]quinoline-7-carboximidamide (PubChem CID 143858013) has the molecular formula C18H14F2N6S and a molecular weight of 384.42 g/mol. Its IUPAC name is N,N'-diamino-4-(3,5-difluoroanilino)thieno[2,3-c]quinoline-7-carboximidamide.

Molecular Properties

Compound NameN,N'-diamino-4-(3,5-difluoroanilino)thieno[2,3-c]quinoline-7-carboximidamide
PubChem CID143858013
Molecular FormulaC18H14F2N6S
Molecular Weight384.42 g/mol
Exact Mass384.10
IUPAC NameN,N'-diamino-4-(3,5-difluoroanilino)thieno[2,3-c]quinoline-7-carboximidamide
SMILESN/N=C(\NN)c1ccc2c(c1)nc(Nc1cc(F)cc(F)c1)c1sccc12
InChIInChI=1S/C18H14F2N6S/c19-10-6-11(20)8-12(7-10)23-18-16-14(3-4-27-16)13-2-1-9(5-15(13)24-18)17(25-21)26-22/h1-8H,21-22H2,(H,23,24)(H,25,26)
InChIKeyJJTGJEZIKBBCQE-UHFFFAOYSA-N
XLogP3.55
TPSA101.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 53.55
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-(3,5-difluoroanilino)thieno[2,3-c]quinoline-7-carboximidamide?
The IUPAC name of N,N'-diamino-4-(3,5-difluoroanilino)thieno[2,3-c]quinoline-7-carboximidamide (CID 143858013) is N,N'-diamino-4-(3,5-difluoroanilino)thieno[2,3-c]quinoline-7-carboximidamide.
What is the SMILES notation for N,N'-diamino-4-(3,5-difluoroanilino)thieno[2,3-c]quinoline-7-carboximidamide?
The canonical SMILES for N,N'-diamino-4-(3,5-difluoroanilino)thieno[2,3-c]quinoline-7-carboximidamide is N/N=C(\NN)c1ccc2c(c1)nc(Nc1cc(F)cc(F)c1)c1sccc12.
What is the InChIKey of N,N'-diamino-4-(3,5-difluoroanilino)thieno[2,3-c]quinoline-7-carboximidamide?
The InChIKey is JJTGJEZIKBBCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N6S/c19-10-6-11(20)8-12(7-10)23-18-16-14(3-4-27-16)13-2-1-9(5-15(13)24-18)17(25-21)26-22/h1-8H,21-22H2,(H,23,24)(H,25,26).
What are the key properties of N,N'-diamino-4-(3,5-difluoroanilino)thieno[2,3-c]quinoline-7-carboximidamide?
N,N'-diamino-4-(3,5-difluoroanilino)thieno[2,3-c]quinoline-7-carboximidamide has a molecular weight of 384.42 g/mol, XLogP of 3.55, 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-(3,5-difluoroanilino)thieno[2,3-c]quinoline-7-carboximidamide is sourced from PubChem (CID 143858013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).