N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-8-phenylquinazolin-2-amine

C26H23N7O — CID 54584243

IUPACN-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-8-phenylquinazolin-2-amine
SMILESc1ccc(-c2cccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc23)cc1
InChIInChI=1S/C26H23N7O/c1-2-5-19(6-3-1)23-8-4-7-20-17-27-25(30-24(20)23)29-21-9-11-22(12-10-21)33-18-28-26(31-33)32-13-15-34-16-14-32/h1-12,17-18H,13-16H2,(H,27,29,30)
InChIKeyBILUVSXSPJVCMC-UHFFFAOYSA-N
MW449.52 g/mol
LogP4.46
Rot. Bonds5

About N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-8-phenylquinazolin-2-amine

N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-8-phenylquinazolin-2-amine (PubChem CID 54584243) has the molecular formula C26H23N7O and a molecular weight of 449.52 g/mol. Its IUPAC name is N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-8-phenylquinazolin-2-amine.

Molecular Properties

Compound NameN-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-8-phenylquinazolin-2-amine
PubChem CID54584243
Molecular FormulaC26H23N7O
Molecular Weight449.52 g/mol
Exact Mass449.20
IUPAC NameN-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-8-phenylquinazolin-2-amine
SMILESc1ccc(-c2cccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc23)cc1
InChIInChI=1S/C26H23N7O/c1-2-5-19(6-3-1)23-8-4-7-20-17-27-25(30-24(20)23)29-21-9-11-22(12-10-21)33-18-28-26(31-33)32-13-15-34-16-14-32/h1-12,17-18H,13-16H2,(H,27,29,30)
InChIKeyBILUVSXSPJVCMC-UHFFFAOYSA-N
XLogP4.46
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-8-phenylquinazolin-2-amine?
The IUPAC name of N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-8-phenylquinazolin-2-amine (CID 54584243) is N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-8-phenylquinazolin-2-amine.
What is the SMILES notation for N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-8-phenylquinazolin-2-amine?
The canonical SMILES for N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-8-phenylquinazolin-2-amine is c1ccc(-c2cccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc23)cc1.
What is the InChIKey of N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-8-phenylquinazolin-2-amine?
The InChIKey is BILUVSXSPJVCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O/c1-2-5-19(6-3-1)23-8-4-7-20-17-27-25(30-24(20)23)29-21-9-11-22(12-10-21)33-18-28-26(31-33)32-13-15-34-16-14-32/h1-12,17-18H,13-16H2,(H,27,29,30).
What are the key properties of N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-8-phenylquinazolin-2-amine?
N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-8-phenylquinazolin-2-amine has a molecular weight of 449.52 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]-8-phenylquinazolin-2-amine is sourced from PubChem (CID 54584243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).