N-(4-morpholin-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-4-amine

C21H19N5OS — CID 15956170

IUPACN-(4-morpholin-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-4-amine
SMILESc1csc(-c2ccc3ncnc(Nc4ccc(N5CCOCC5)cc4)c3c2)n1
InChIInChI=1S/C21H19N5OS/c1-6-19-18(13-15(1)21-22-7-12-28-21)20(24-14-23-19)25-16-2-4-17(5-3-16)26-8-10-27-11-9-26/h1-7,12-14H,8-11H2,(H,23,24,25)
InChIKeyOVQXGRWUEXQJMZ-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.33
Rot. Bonds4

About N-(4-morpholin-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-4-amine

N-(4-morpholin-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-4-amine (PubChem CID 15956170) has the molecular formula C21H19N5OS and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-4-amine
PubChem CID15956170
Molecular FormulaC21H19N5OS
Molecular Weight389.48 g/mol
Exact Mass389.13
IUPAC NameN-(4-morpholin-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-4-amine
SMILESc1csc(-c2ccc3ncnc(Nc4ccc(N5CCOCC5)cc4)c3c2)n1
InChIInChI=1S/C21H19N5OS/c1-6-19-18(13-15(1)21-22-7-12-28-21)20(24-14-23-19)25-16-2-4-17(5-3-16)26-8-10-27-11-9-26/h1-7,12-14H,8-11H2,(H,23,24,25)
InChIKeyOVQXGRWUEXQJMZ-UHFFFAOYSA-N
XLogP4.33
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-4-amine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-4-amine (CID 15956170) is N-(4-morpholin-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-4-amine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-4-amine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-4-amine is c1csc(-c2ccc3ncnc(Nc4ccc(N5CCOCC5)cc4)c3c2)n1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-4-amine?
The InChIKey is OVQXGRWUEXQJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5OS/c1-6-19-18(13-15(1)21-22-7-12-28-21)20(24-14-23-19)25-16-2-4-17(5-3-16)26-8-10-27-11-9-26/h1-7,12-14H,8-11H2,(H,23,24,25).
What are the key properties of N-(4-morpholin-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-4-amine?
N-(4-morpholin-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-4-amine has a molecular weight of 389.48 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-6-(1,3-thiazol-2-yl)quinazolin-4-amine is sourced from PubChem (CID 15956170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).