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

C14H15N5OS — CID 143858026

IUPACN'-amino-4-(2-hydroxyethylamino)thieno[3,2-c]quinoline-7-carboximidamide
SMILESN/N=C(\N)c1ccc2c(c1)nc(NCCO)c1ccsc12
InChIInChI=1S/C14H15N5OS/c15-13(19-16)8-1-2-9-11(7-8)18-14(17-4-5-20)10-3-6-21-12(9)10/h1-3,6-7,20H,4-5,16H2,(H2,15,19)(H,17,18)
InChIKeyOMQCGSUIEDPXKQ-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.43
Rot. Bonds4

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

N'-amino-4-(2-hydroxyethylamino)thieno[3,2-c]quinoline-7-carboximidamide (PubChem CID 143858026) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is N'-amino-4-(2-hydroxyethylamino)thieno[3,2-c]quinoline-7-carboximidamide.

Molecular Properties

Compound NameN'-amino-4-(2-hydroxyethylamino)thieno[3,2-c]quinoline-7-carboximidamide
PubChem CID143858026
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC NameN'-amino-4-(2-hydroxyethylamino)thieno[3,2-c]quinoline-7-carboximidamide
SMILESN/N=C(\N)c1ccc2c(c1)nc(NCCO)c1ccsc12
InChIInChI=1S/C14H15N5OS/c15-13(19-16)8-1-2-9-11(7-8)18-14(17-4-5-20)10-3-6-21-12(9)10/h1-3,6-7,20H,4-5,16H2,(H2,15,19)(H,17,18)
InChIKeyOMQCGSUIEDPXKQ-UHFFFAOYSA-N
XLogP1.43
TPSA109.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.43
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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Related Compounds

N'-amino-4-(3-ethoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide
CID 143638450
N'-amino-4-(4-fluoro-3-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide
CID 143638374
[[amino-[4-(3,5-difluoroanilino)thieno[3,2-c]quinolin-7-yl]methylidene]hydrazinylidene]azanium
CID 147805675
1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]propan-1-one
CID 147081982
N'-amino-4-[(1-methylpiperidin-2-yl)methylamino]thieno[2,3-c]quinoline-7-carboximidamide
CID 143858118
4-N-[3-(dimethylamino)propyl]thieno[3,2-c]quinoline-4,7-diamine
CID 89148329
N,N'-diamino-4-(4-fluoroanilino)thieno[3,2-c]quinoline-7-carboximidamide
CID 143638501
4-(3-chloro-5-fluoroanilino)-N'-diazenylthieno[3,2-c]quinoline-7-carboximidamide
CID 136628356
N,N'-diamino-4-(4-methoxyanilino)thieno[3,2-c]quinoline-7-carboximidamide
CID 143638405
N'-diazenyl-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]thieno[3,2-c]quinoline-7-carboximidamide
CID 143858137
1-[4-[2-(dimethylamino)ethylamino]thieno[3,2-c]quinolin-7-yl]-4-methoxybutan-1-one
CID 160560333
N,N'-diamino-4-(3-bromoanilino)thieno[3,2-c]quinoline-7-carboximidamide
CID 143638444

Frequently Asked Questions

What is the IUPAC name of N'-amino-4-(2-hydroxyethylamino)thieno[3,2-c]quinoline-7-carboximidamide?
The IUPAC name of N'-amino-4-(2-hydroxyethylamino)thieno[3,2-c]quinoline-7-carboximidamide (CID 143858026) is N'-amino-4-(2-hydroxyethylamino)thieno[3,2-c]quinoline-7-carboximidamide.
What is the SMILES notation for N'-amino-4-(2-hydroxyethylamino)thieno[3,2-c]quinoline-7-carboximidamide?
The canonical SMILES for N'-amino-4-(2-hydroxyethylamino)thieno[3,2-c]quinoline-7-carboximidamide is N/N=C(\N)c1ccc2c(c1)nc(NCCO)c1ccsc12.
What is the InChIKey of N'-amino-4-(2-hydroxyethylamino)thieno[3,2-c]quinoline-7-carboximidamide?
The InChIKey is OMQCGSUIEDPXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c15-13(19-16)8-1-2-9-11(7-8)18-14(17-4-5-20)10-3-6-21-12(9)10/h1-3,6-7,20H,4-5,16H2,(H2,15,19)(H,17,18).
What are the key properties of N'-amino-4-(2-hydroxyethylamino)thieno[3,2-c]quinoline-7-carboximidamide?
N'-amino-4-(2-hydroxyethylamino)thieno[3,2-c]quinoline-7-carboximidamide has a molecular weight of 301.38 g/mol, XLogP of 1.43, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-(2-hydroxyethylamino)thieno[3,2-c]quinoline-7-carboximidamide is sourced from PubChem (CID 143858026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).