4-chloro-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide

C19H20ClN3OS — CID 6622499

IUPAC4-chloro-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESO=C(NCCCN1CCCC1)c1cc2c(Cl)nc3ccccc3c2s1
InChIInChI=1S/C19H20ClN3OS/c20-18-14-12-16(19(24)21-8-5-11-23-9-3-4-10-23)25-17(14)13-6-1-2-7-15(13)22-18/h1-2,6-7,12H,3-5,8-11H2,(H,21,24)
InChIKeyDIFKFIKRWZMOHH-UHFFFAOYSA-N
MW373.91 g/mol
LogP4.32
Rot. Bonds5

About 4-chloro-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide

4-chloro-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 6622499) has the molecular formula C19H20ClN3OS and a molecular weight of 373.91 g/mol. Its IUPAC name is 4-chloro-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide
PubChem CID6622499
Molecular FormulaC19H20ClN3OS
Molecular Weight373.91 g/mol
Exact Mass373.10
IUPAC Name4-chloro-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESO=C(NCCCN1CCCC1)c1cc2c(Cl)nc3ccccc3c2s1
InChIInChI=1S/C19H20ClN3OS/c20-18-14-12-16(19(24)21-8-5-11-23-9-3-4-10-23)25-17(14)13-6-1-2-7-15(13)22-18/h1-2,6-7,12H,3-5,8-11H2,(H,21,24)
InChIKeyDIFKFIKRWZMOHH-UHFFFAOYSA-N
XLogP4.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide (CID 6622499) is 4-chloro-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide is O=C(NCCCN1CCCC1)c1cc2c(Cl)nc3ccccc3c2s1.
What is the InChIKey of 4-chloro-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is DIFKFIKRWZMOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3OS/c20-18-14-12-16(19(24)21-8-5-11-23-9-3-4-10-23)25-17(14)13-6-1-2-7-15(13)22-18/h1-2,6-7,12H,3-5,8-11H2,(H,21,24).
What are the key properties of 4-chloro-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide?
4-chloro-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 373.91 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 6622499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).