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

C20H19N5OS — CID 143638379

IUPACN'-amino-4-(3-methoxy-4-methylanilino)thieno[3,2-c]quinoline-7-carboximidamide
SMILESCOc1cc(Nc2nc3cc(/C(N)=N/N)ccc3c3sccc23)ccc1C
InChIInChI=1S/C20H19N5OS/c1-11-3-5-13(10-17(11)26-2)23-20-15-7-8-27-18(15)14-6-4-12(19(21)25-22)9-16(14)24-20/h3-10H,22H2,1-2H3,(H2,21,25)(H,23,24)
InChIKeyJTSGXEBNMPUGBO-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.09
Rot. Bonds4

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

N'-amino-4-(3-methoxy-4-methylanilino)thieno[3,2-c]quinoline-7-carboximidamide (PubChem CID 143638379) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is N'-amino-4-(3-methoxy-4-methylanilino)thieno[3,2-c]quinoline-7-carboximidamide.

Molecular Properties

Compound NameN'-amino-4-(3-methoxy-4-methylanilino)thieno[3,2-c]quinoline-7-carboximidamide
PubChem CID143638379
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC NameN'-amino-4-(3-methoxy-4-methylanilino)thieno[3,2-c]quinoline-7-carboximidamide
SMILESCOc1cc(Nc2nc3cc(/C(N)=N/N)ccc3c3sccc23)ccc1C
InChIInChI=1S/C20H19N5OS/c1-11-3-5-13(10-17(11)26-2)23-20-15-7-8-27-18(15)14-6-4-12(19(21)25-22)9-16(14)24-20/h3-10H,22H2,1-2H3,(H2,21,25)(H,23,24)
InChIKeyJTSGXEBNMPUGBO-UHFFFAOYSA-N
XLogP4.09
TPSA98.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.09
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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Frequently Asked Questions

What is the IUPAC name of N'-amino-4-(3-methoxy-4-methylanilino)thieno[3,2-c]quinoline-7-carboximidamide?
The IUPAC name of N'-amino-4-(3-methoxy-4-methylanilino)thieno[3,2-c]quinoline-7-carboximidamide (CID 143638379) is N'-amino-4-(3-methoxy-4-methylanilino)thieno[3,2-c]quinoline-7-carboximidamide.
What is the SMILES notation for N'-amino-4-(3-methoxy-4-methylanilino)thieno[3,2-c]quinoline-7-carboximidamide?
The canonical SMILES for N'-amino-4-(3-methoxy-4-methylanilino)thieno[3,2-c]quinoline-7-carboximidamide is COc1cc(Nc2nc3cc(/C(N)=N/N)ccc3c3sccc23)ccc1C.
What is the InChIKey of N'-amino-4-(3-methoxy-4-methylanilino)thieno[3,2-c]quinoline-7-carboximidamide?
The InChIKey is JTSGXEBNMPUGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-11-3-5-13(10-17(11)26-2)23-20-15-7-8-27-18(15)14-6-4-12(19(21)25-22)9-16(14)24-20/h3-10H,22H2,1-2H3,(H2,21,25)(H,23,24).
What are the key properties of N'-amino-4-(3-methoxy-4-methylanilino)thieno[3,2-c]quinoline-7-carboximidamide?
N'-amino-4-(3-methoxy-4-methylanilino)thieno[3,2-c]quinoline-7-carboximidamide has a molecular weight of 377.47 g/mol, XLogP of 4.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-(3-methoxy-4-methylanilino)thieno[3,2-c]quinoline-7-carboximidamide is sourced from PubChem (CID 143638379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).