6-(3-morpholin-4-ylphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine

C31H28N4O2 — CID 71663850

IUPAC6-(3-morpholin-4-ylphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
SMILESc1ccc(COc2ccc(Nc3ncnc4ccc(-c5cccc(N6CCOCC6)c5)cc34)cc2)cc1
InChIInChI=1S/C31H28N4O2/c1-2-5-23(6-3-1)21-37-28-12-10-26(11-13-28)34-31-29-20-25(9-14-30(29)32-22-33-31)24-7-4-8-27(19-24)35-15-17-36-18-16-35/h1-14,19-20,22H,15-18,21H2,(H,32,33,34)
InChIKeyTUGYLKOMINPSEF-UHFFFAOYSA-N
MW488.59 g/mol
LogP6.46
Rot. Bonds7

About 6-(3-morpholin-4-ylphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine

6-(3-morpholin-4-ylphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine (PubChem CID 71663850) has the molecular formula C31H28N4O2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 6-(3-morpholin-4-ylphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(3-morpholin-4-ylphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
PubChem CID71663850
Molecular FormulaC31H28N4O2
Molecular Weight488.59 g/mol
Exact Mass488.22
IUPAC Name6-(3-morpholin-4-ylphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
SMILESc1ccc(COc2ccc(Nc3ncnc4ccc(-c5cccc(N6CCOCC6)c5)cc34)cc2)cc1
InChIInChI=1S/C31H28N4O2/c1-2-5-23(6-3-1)21-37-28-12-10-26(11-13-28)34-31-29-20-25(9-14-30(29)32-22-33-31)24-7-4-8-27(19-24)35-15-17-36-18-16-35/h1-14,19-20,22H,15-18,21H2,(H,32,33,34)
InChIKeyTUGYLKOMINPSEF-UHFFFAOYSA-N
XLogP6.46
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-morpholin-4-ylphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
The IUPAC name of 6-(3-morpholin-4-ylphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine (CID 71663850) is 6-(3-morpholin-4-ylphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-(3-morpholin-4-ylphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 6-(3-morpholin-4-ylphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine is c1ccc(COc2ccc(Nc3ncnc4ccc(-c5cccc(N6CCOCC6)c5)cc34)cc2)cc1.
What is the InChIKey of 6-(3-morpholin-4-ylphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
The InChIKey is TUGYLKOMINPSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O2/c1-2-5-23(6-3-1)21-37-28-12-10-26(11-13-28)34-31-29-20-25(9-14-30(29)32-22-33-31)24-7-4-8-27(19-24)35-15-17-36-18-16-35/h1-14,19-20,22H,15-18,21H2,(H,32,33,34).
What are the key properties of 6-(3-morpholin-4-ylphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
6-(3-morpholin-4-ylphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine has a molecular weight of 488.59 g/mol, XLogP of 6.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-morpholin-4-ylphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 71663850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).