N-(2-methoxy-4-morpholin-4-ylphenyl)-8-phenylquinazolin-2-amine

C25H24N4O2 — CID 72724797

IUPACN-(2-methoxy-4-morpholin-4-ylphenyl)-8-phenylquinazolin-2-amine
SMILESCOc1cc(N2CCOCC2)ccc1Nc1ncc2cccc(-c3ccccc3)c2n1
InChIInChI=1S/C25H24N4O2/c1-30-23-16-20(29-12-14-31-15-13-29)10-11-22(23)27-25-26-17-19-8-5-9-21(24(19)28-25)18-6-3-2-4-7-18/h2-11,16-17H,12-15H2,1H3,(H,26,27,28)
InChIKeyPZYCXABMMWBLJO-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.89
Rot. Bonds5

About N-(2-methoxy-4-morpholin-4-ylphenyl)-8-phenylquinazolin-2-amine

N-(2-methoxy-4-morpholin-4-ylphenyl)-8-phenylquinazolin-2-amine (PubChem CID 72724797) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(2-methoxy-4-morpholin-4-ylphenyl)-8-phenylquinazolin-2-amine.

Molecular Properties

Compound NameN-(2-methoxy-4-morpholin-4-ylphenyl)-8-phenylquinazolin-2-amine
PubChem CID72724797
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-(2-methoxy-4-morpholin-4-ylphenyl)-8-phenylquinazolin-2-amine
SMILESCOc1cc(N2CCOCC2)ccc1Nc1ncc2cccc(-c3ccccc3)c2n1
InChIInChI=1S/C25H24N4O2/c1-30-23-16-20(29-12-14-31-15-13-29)10-11-22(23)27-25-26-17-19-8-5-9-21(24(19)28-25)18-6-3-2-4-7-18/h2-11,16-17H,12-15H2,1H3,(H,26,27,28)
InChIKeyPZYCXABMMWBLJO-UHFFFAOYSA-N
XLogP4.89
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-morpholin-4-ylphenyl)-8-phenylquinazolin-2-amine?
The IUPAC name of N-(2-methoxy-4-morpholin-4-ylphenyl)-8-phenylquinazolin-2-amine (CID 72724797) is N-(2-methoxy-4-morpholin-4-ylphenyl)-8-phenylquinazolin-2-amine.
What is the SMILES notation for N-(2-methoxy-4-morpholin-4-ylphenyl)-8-phenylquinazolin-2-amine?
The canonical SMILES for N-(2-methoxy-4-morpholin-4-ylphenyl)-8-phenylquinazolin-2-amine is COc1cc(N2CCOCC2)ccc1Nc1ncc2cccc(-c3ccccc3)c2n1.
What is the InChIKey of N-(2-methoxy-4-morpholin-4-ylphenyl)-8-phenylquinazolin-2-amine?
The InChIKey is PZYCXABMMWBLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-30-23-16-20(29-12-14-31-15-13-29)10-11-22(23)27-25-26-17-19-8-5-9-21(24(19)28-25)18-6-3-2-4-7-18/h2-11,16-17H,12-15H2,1H3,(H,26,27,28).
What are the key properties of N-(2-methoxy-4-morpholin-4-ylphenyl)-8-phenylquinazolin-2-amine?
N-(2-methoxy-4-morpholin-4-ylphenyl)-8-phenylquinazolin-2-amine has a molecular weight of 412.49 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-morpholin-4-ylphenyl)-8-phenylquinazolin-2-amine is sourced from PubChem (CID 72724797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).