N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinazolin-4-amine

C19H22N4OS — CID 2516616

IUPACN-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinazolin-4-amine
SMILESc1csc(-c2nc(NCCCN3CCOCC3)c3ccccc3n2)c1
InChIInChI=1S/C19H22N4OS/c1-2-6-16-15(5-1)18(22-19(21-16)17-7-3-14-25-17)20-8-4-9-23-10-12-24-13-11-23/h1-3,5-7,14H,4,8-13H2,(H,20,21,22)
InChIKeyXPXAZVUUKZNJQJ-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.49
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinazolin-4-amine

N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinazolin-4-amine (PubChem CID 2516616) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinazolin-4-amine
PubChem CID2516616
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinazolin-4-amine
SMILESc1csc(-c2nc(NCCCN3CCOCC3)c3ccccc3n2)c1
InChIInChI=1S/C19H22N4OS/c1-2-6-16-15(5-1)18(22-19(21-16)17-7-3-14-25-17)20-8-4-9-23-10-12-24-13-11-23/h1-3,5-7,14H,4,8-13H2,(H,20,21,22)
InChIKeyXPXAZVUUKZNJQJ-UHFFFAOYSA-N
XLogP3.49
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-2-thiophen-2-ylquinazolin-4-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinazolin-4-amine (CID 2516616) is N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinazolin-4-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinazolin-4-amine is c1csc(-c2nc(NCCCN3CCOCC3)c3ccccc3n2)c1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinazolin-4-amine?
The InChIKey is XPXAZVUUKZNJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-2-6-16-15(5-1)18(22-19(21-16)17-7-3-14-25-17)20-8-4-9-23-10-12-24-13-11-23/h1-3,5-7,14H,4,8-13H2,(H,20,21,22).
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinazolin-4-amine?
N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinazolin-4-amine has a molecular weight of 354.48 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylquinazolin-4-amine is sourced from PubChem (CID 2516616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).