N-(3-morpholin-4-ylpropyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide

C19H21N3O3S — CID 3237845

IUPACN-(3-morpholin-4-ylpropyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc2c(=O)[nH]c3ccccc3c2s1
InChIInChI=1S/C19H21N3O3S/c23-18-14-12-16(26-17(14)13-4-1-2-5-15(13)21-18)19(24)20-6-3-7-22-8-10-25-11-9-22/h1-2,4-5,12H,3,6-11H2,(H,20,24)(H,21,23)
InChIKeyWYHQVGUULLBUKN-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.19
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide

N-(3-morpholin-4-ylpropyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 3237845) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
PubChem CID3237845
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-(3-morpholin-4-ylpropyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc2c(=O)[nH]c3ccccc3c2s1
InChIInChI=1S/C19H21N3O3S/c23-18-14-12-16(26-17(14)13-4-1-2-5-15(13)21-18)19(24)20-6-3-7-22-8-10-25-11-9-22/h1-2,4-5,12H,3,6-11H2,(H,20,24)(H,21,23)
InChIKeyWYHQVGUULLBUKN-UHFFFAOYSA-N
XLogP2.19
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide (CID 3237845) is N-(3-morpholin-4-ylpropyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide is O=C(NCCCN1CCOCC1)c1cc2c(=O)[nH]c3ccccc3c2s1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is WYHQVGUULLBUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-18-14-12-16(26-17(14)13-4-1-2-5-15(13)21-18)19(24)20-6-3-7-22-8-10-25-11-9-22/h1-2,4-5,12H,3,6-11H2,(H,20,24)(H,21,23).
What are the key properties of N-(3-morpholin-4-ylpropyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
N-(3-morpholin-4-ylpropyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 3237845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).