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

C19H16FN5OS — CID 143638374

IUPACN'-amino-4-(4-fluoro-3-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide
SMILESCOc1cc(Nc2nc3cc(/C(N)=N/N)ccc3c3sccc23)ccc1F
InChIInChI=1S/C19H16FN5OS/c1-26-16-9-11(3-5-14(16)20)23-19-13-6-7-27-17(13)12-4-2-10(18(21)25-22)8-15(12)24-19/h2-9H,22H2,1H3,(H2,21,25)(H,23,24)
InChIKeyNYRGZDFYAVOWDF-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.92
Rot. Bonds4

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

N'-amino-4-(4-fluoro-3-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide (PubChem CID 143638374) has the molecular formula C19H16FN5OS and a molecular weight of 381.44 g/mol. Its IUPAC name is N'-amino-4-(4-fluoro-3-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide.

Molecular Properties

Compound NameN'-amino-4-(4-fluoro-3-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide
PubChem CID143638374
Molecular FormulaC19H16FN5OS
Molecular Weight381.44 g/mol
Exact Mass381.11
IUPAC NameN'-amino-4-(4-fluoro-3-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide
SMILESCOc1cc(Nc2nc3cc(/C(N)=N/N)ccc3c3sccc23)ccc1F
InChIInChI=1S/C19H16FN5OS/c1-26-16-9-11(3-5-14(16)20)23-19-13-6-7-27-17(13)12-4-2-10(18(21)25-22)8-15(12)24-19/h2-9H,22H2,1H3,(H2,21,25)(H,23,24)
InChIKeyNYRGZDFYAVOWDF-UHFFFAOYSA-N
XLogP3.92
TPSA98.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.92
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-ethoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide
CID 143638450
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
N'-amino-4-(2-hydroxyethylamino)thieno[3,2-c]quinoline-7-carboximidamide
CID 143858026
4-(3-chloro-5-fluoroanilino)-N'-diazenylthieno[3,2-c]quinoline-7-carboximidamide
CID 136628356
N,N'-diamino-4-(3-bromoanilino)thieno[3,2-c]quinoline-7-carboximidamide
CID 143638444
N,N'-diamino-4-(3,5-difluoroanilino)thieno[2,3-c]quinoline-7-carboximidamide
CID 143858013
N'-amino-5-(4-chloro-3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboximidamide
CID 143638479
3-[[7-(N'-diazenylcarbamimidoyl)thieno[3,2-c]quinolin-4-yl]amino]-N-(2-imino-4-oxopentyl)benzamide
CID 136635962
N-(3,5-dimethoxyphenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine
CID 118009879
N'-diazenyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[3,2-c]quinoline-7-carboximidamide
CID 143858137

Frequently Asked Questions

What is the IUPAC name of N'-amino-4-(4-fluoro-3-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide?
The IUPAC name of N'-amino-4-(4-fluoro-3-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide (CID 143638374) is N'-amino-4-(4-fluoro-3-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide.
What is the SMILES notation for N'-amino-4-(4-fluoro-3-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide?
The canonical SMILES for N'-amino-4-(4-fluoro-3-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide is COc1cc(Nc2nc3cc(/C(N)=N/N)ccc3c3sccc23)ccc1F.
What is the InChIKey of N'-amino-4-(4-fluoro-3-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide?
The InChIKey is NYRGZDFYAVOWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5OS/c1-26-16-9-11(3-5-14(16)20)23-19-13-6-7-27-17(13)12-4-2-10(18(21)25-22)8-15(12)24-19/h2-9H,22H2,1H3,(H2,21,25)(H,23,24).
What are the key properties of N'-amino-4-(4-fluoro-3-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide?
N'-amino-4-(4-fluoro-3-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide has a molecular weight of 381.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-(4-fluoro-3-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide is sourced from PubChem (CID 143638374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).