N'-amino-4-[(1-methylpiperidin-2-yl)methylamino]thieno[2,3-c]quinoline-7-carboximidamide

C19H24N6S — CID 143858118

IUPACN'-amino-4-[(1-methylpiperidin-2-yl)methylamino]thieno[2,3-c]quinoline-7-carboximidamide
SMILESCN1CCCCC1CNc1nc2cc(/C(N)=N/N)ccc2c2ccsc12
InChIInChI=1S/C19H24N6S/c1-25-8-3-2-4-13(25)11-22-19-17-15(7-9-26-17)14-6-5-12(18(20)24-21)10-16(14)23-19/h5-7,9-10,13H,2-4,8,11,21H2,1H3,(H2,20,24)(H,22,23)
InChIKeyWLRIBXTZKFUZCE-UHFFFAOYSA-N
MW368.51 g/mol
LogP2.92
Rot. Bonds4

About N'-amino-4-[(1-methylpiperidin-2-yl)methylamino]thieno[2,3-c]quinoline-7-carboximidamide

N'-amino-4-[(1-methylpiperidin-2-yl)methylamino]thieno[2,3-c]quinoline-7-carboximidamide (PubChem CID 143858118) has the molecular formula C19H24N6S and a molecular weight of 368.51 g/mol. Its IUPAC name is N'-amino-4-[(1-methylpiperidin-2-yl)methylamino]thieno[2,3-c]quinoline-7-carboximidamide.

Molecular Properties

Compound NameN'-amino-4-[(1-methylpiperidin-2-yl)methylamino]thieno[2,3-c]quinoline-7-carboximidamide
PubChem CID143858118
Molecular FormulaC19H24N6S
Molecular Weight368.51 g/mol
Exact Mass368.18
IUPAC NameN'-amino-4-[(1-methylpiperidin-2-yl)methylamino]thieno[2,3-c]quinoline-7-carboximidamide
SMILESCN1CCCCC1CNc1nc2cc(/C(N)=N/N)ccc2c2ccsc12
InChIInChI=1S/C19H24N6S/c1-25-8-3-2-4-13(25)11-22-19-17-15(7-9-26-17)14-6-5-12(18(20)24-21)10-16(14)23-19/h5-7,9-10,13H,2-4,8,11,21H2,1H3,(H2,20,24)(H,22,23)
InChIKeyWLRIBXTZKFUZCE-UHFFFAOYSA-N
XLogP2.92
TPSA92.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 52.92
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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Frequently Asked Questions

What is the IUPAC name of N'-amino-4-[(1-methylpiperidin-2-yl)methylamino]thieno[2,3-c]quinoline-7-carboximidamide?
The IUPAC name of N'-amino-4-[(1-methylpiperidin-2-yl)methylamino]thieno[2,3-c]quinoline-7-carboximidamide (CID 143858118) is N'-amino-4-[(1-methylpiperidin-2-yl)methylamino]thieno[2,3-c]quinoline-7-carboximidamide.
What is the SMILES notation for N'-amino-4-[(1-methylpiperidin-2-yl)methylamino]thieno[2,3-c]quinoline-7-carboximidamide?
The canonical SMILES for N'-amino-4-[(1-methylpiperidin-2-yl)methylamino]thieno[2,3-c]quinoline-7-carboximidamide is CN1CCCCC1CNc1nc2cc(/C(N)=N/N)ccc2c2ccsc12.
What is the InChIKey of N'-amino-4-[(1-methylpiperidin-2-yl)methylamino]thieno[2,3-c]quinoline-7-carboximidamide?
The InChIKey is WLRIBXTZKFUZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6S/c1-25-8-3-2-4-13(25)11-22-19-17-15(7-9-26-17)14-6-5-12(18(20)24-21)10-16(14)23-19/h5-7,9-10,13H,2-4,8,11,21H2,1H3,(H2,20,24)(H,22,23).
What are the key properties of N'-amino-4-[(1-methylpiperidin-2-yl)methylamino]thieno[2,3-c]quinoline-7-carboximidamide?
N'-amino-4-[(1-methylpiperidin-2-yl)methylamino]thieno[2,3-c]quinoline-7-carboximidamide has a molecular weight of 368.51 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-[(1-methylpiperidin-2-yl)methylamino]thieno[2,3-c]quinoline-7-carboximidamide is sourced from PubChem (CID 143858118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).