N-(3,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine

C22H19N3O2 — CID 71454923

IUPACN-(3,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine
SMILESCOc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1OC
InChIInChI=1S/C22H19N3O2/c1-26-19-13-12-16(14-20(19)27-2)23-22-17-10-6-7-11-18(17)24-21(25-22)15-8-4-3-5-9-15/h3-14H,1-2H3,(H,23,24,25)
InChIKeyLUUUIUBMYQYODQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP5.06
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine

N-(3,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine (PubChem CID 71454923) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine
PubChem CID71454923
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-(3,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine
SMILESCOc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1OC
InChIInChI=1S/C22H19N3O2/c1-26-19-13-12-16(14-20(19)27-2)23-22-17-10-6-7-11-18(17)24-21(25-22)15-8-4-3-5-9-15/h3-14H,1-2H3,(H,23,24,25)
InChIKeyLUUUIUBMYQYODQ-UHFFFAOYSA-N
XLogP5.06
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine (CID 71454923) is N-(3,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine is COc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine?
The InChIKey is LUUUIUBMYQYODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-26-19-13-12-16(14-20(19)27-2)23-22-17-10-6-7-11-18(17)24-21(25-22)15-8-4-3-5-9-15/h3-14H,1-2H3,(H,23,24,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine?
N-(3,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine has a molecular weight of 357.41 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine is sourced from PubChem (CID 71454923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).