[[amino-[4-(3,5-difluoroanilino)thieno[3,2-c]quinolin-7-yl]methylidene]hydrazinylidene]azanium

C18H13F2N6S+ — CID 147805675

IUPAC[[amino-[4-(3,5-difluoroanilino)thieno[3,2-c]quinolin-7-yl]methylidene]hydrazinylidene]azanium
SMILESNC(=NN=[NH2+])c1ccc2c(c1)nc(Nc1cc(F)cc(F)c1)c1ccsc12
InChIInChI=1S/C18H12F2N6S/c19-10-6-11(20)8-12(7-10)23-18-14-3-4-27-16(14)13-2-1-9(5-15(13)24-18)17(21)25-26-22/h1-8H,(H,23,24)(H3,21,22,25)/p+1
InChIKeyHMJPXVYNHZSQCV-UHFFFAOYSA-O
MW383.41 g/mol
LogP3.30
Rot. Bonds4

About [[amino-[4-(3,5-difluoroanilino)thieno[3,2-c]quinolin-7-yl]methylidene]hydrazinylidene]azanium

[[amino-[4-(3,5-difluoroanilino)thieno[3,2-c]quinolin-7-yl]methylidene]hydrazinylidene]azanium (PubChem CID 147805675) has the molecular formula C18H13F2N6S+ and a molecular weight of 383.41 g/mol. Its IUPAC name is [[amino-[4-(3,5-difluoroanilino)thieno[3,2-c]quinolin-7-yl]methylidene]hydrazinylidene]azanium.

Molecular Properties

Compound Name[[amino-[4-(3,5-difluoroanilino)thieno[3,2-c]quinolin-7-yl]methylidene]hydrazinylidene]azanium
PubChem CID147805675
Molecular FormulaC18H13F2N6S+
Molecular Weight383.41 g/mol
Exact Mass383.09
IUPAC Name[[amino-[4-(3,5-difluoroanilino)thieno[3,2-c]quinolin-7-yl]methylidene]hydrazinylidene]azanium
SMILESNC(=NN=[NH2+])c1ccc2c(c1)nc(Nc1cc(F)cc(F)c1)c1ccsc12
InChIInChI=1S/C18H12F2N6S/c19-10-6-11(20)8-12(7-10)23-18-14-3-4-27-16(14)13-2-1-9(5-15(13)24-18)17(21)25-26-22/h1-8H,(H,23,24)(H3,21,22,25)/p+1
InChIKeyHMJPXVYNHZSQCV-UHFFFAOYSA-O
XLogP3.30
TPSA101.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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 [[amino-[4-(3,5-difluoroanilino)thieno[3,2-c]quinolin-7-yl]methylidene]hydrazinylidene]azanium?
The IUPAC name of [[amino-[4-(3,5-difluoroanilino)thieno[3,2-c]quinolin-7-yl]methylidene]hydrazinylidene]azanium (CID 147805675) is [[amino-[4-(3,5-difluoroanilino)thieno[3,2-c]quinolin-7-yl]methylidene]hydrazinylidene]azanium.
What is the SMILES notation for [[amino-[4-(3,5-difluoroanilino)thieno[3,2-c]quinolin-7-yl]methylidene]hydrazinylidene]azanium?
The canonical SMILES for [[amino-[4-(3,5-difluoroanilino)thieno[3,2-c]quinolin-7-yl]methylidene]hydrazinylidene]azanium is NC(=NN=[NH2+])c1ccc2c(c1)nc(Nc1cc(F)cc(F)c1)c1ccsc12.
What is the InChIKey of [[amino-[4-(3,5-difluoroanilino)thieno[3,2-c]quinolin-7-yl]methylidene]hydrazinylidene]azanium?
The InChIKey is HMJPXVYNHZSQCV-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H12F2N6S/c19-10-6-11(20)8-12(7-10)23-18-14-3-4-27-16(14)13-2-1-9(5-15(13)24-18)17(21)25-26-22/h1-8H,(H,23,24)(H3,21,22,25)/p+1.
What are the key properties of [[amino-[4-(3,5-difluoroanilino)thieno[3,2-c]quinolin-7-yl]methylidene]hydrazinylidene]azanium?
[[amino-[4-(3,5-difluoroanilino)thieno[3,2-c]quinolin-7-yl]methylidene]hydrazinylidene]azanium has a molecular weight of 383.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino-[4-(3,5-difluoroanilino)thieno[3,2-c]quinolin-7-yl]methylidene]hydrazinylidene]azanium is sourced from PubChem (CID 147805675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).