4-(3-aminopyrrolidin-1-yl)thieno[3,2-c]quinolin-7-amine

C15H16N4S — CID 89151012

IUPAC4-(3-aminopyrrolidin-1-yl)thieno[3,2-c]quinolin-7-amine
SMILESNc1ccc2c(c1)nc(N1CCC(N)C1)c1ccsc12
InChIInChI=1S/C15H16N4S/c16-9-1-2-11-13(7-9)18-15(12-4-6-20-14(11)12)19-5-3-10(17)8-19/h1-2,4,6-7,10H,3,5,8,16-17H2
InChIKeyJZRCNOZNOWOWLE-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.57
Rot. Bonds1

About 4-(3-aminopyrrolidin-1-yl)thieno[3,2-c]quinolin-7-amine

4-(3-aminopyrrolidin-1-yl)thieno[3,2-c]quinolin-7-amine (PubChem CID 89151012) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-(3-aminopyrrolidin-1-yl)thieno[3,2-c]quinolin-7-amine.

Molecular Properties

Compound Name4-(3-aminopyrrolidin-1-yl)thieno[3,2-c]quinolin-7-amine
PubChem CID89151012
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name4-(3-aminopyrrolidin-1-yl)thieno[3,2-c]quinolin-7-amine
SMILESNc1ccc2c(c1)nc(N1CCC(N)C1)c1ccsc12
InChIInChI=1S/C15H16N4S/c16-9-1-2-11-13(7-9)18-15(12-4-6-20-14(11)12)19-5-3-10(17)8-19/h1-2,4,6-7,10H,3,5,8,16-17H2
InChIKeyJZRCNOZNOWOWLE-UHFFFAOYSA-N
XLogP2.57
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrrolidin-1-yl)thieno[3,2-c]quinolin-7-amine?
The IUPAC name of 4-(3-aminopyrrolidin-1-yl)thieno[3,2-c]quinolin-7-amine (CID 89151012) is 4-(3-aminopyrrolidin-1-yl)thieno[3,2-c]quinolin-7-amine.
What is the SMILES notation for 4-(3-aminopyrrolidin-1-yl)thieno[3,2-c]quinolin-7-amine?
The canonical SMILES for 4-(3-aminopyrrolidin-1-yl)thieno[3,2-c]quinolin-7-amine is Nc1ccc2c(c1)nc(N1CCC(N)C1)c1ccsc12.
What is the InChIKey of 4-(3-aminopyrrolidin-1-yl)thieno[3,2-c]quinolin-7-amine?
The InChIKey is JZRCNOZNOWOWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c16-9-1-2-11-13(7-9)18-15(12-4-6-20-14(11)12)19-5-3-10(17)8-19/h1-2,4,6-7,10H,3,5,8,16-17H2.
What are the key properties of 4-(3-aminopyrrolidin-1-yl)thieno[3,2-c]quinolin-7-amine?
4-(3-aminopyrrolidin-1-yl)thieno[3,2-c]quinolin-7-amine has a molecular weight of 284.39 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrrolidin-1-yl)thieno[3,2-c]quinolin-7-amine is sourced from PubChem (CID 89151012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).