N-benzyl-4-phenylmethoxyquinazolin-2-amine

C22H19N3O — CID 122183224

IUPACN-benzyl-4-phenylmethoxyquinazolin-2-amine
SMILESc1ccc(CNc2nc(OCc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C22H19N3O/c1-3-9-17(10-4-1)15-23-22-24-20-14-8-7-13-19(20)21(25-22)26-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,23,24,25)
InChIKeyAXJNGKTTYPCPGJ-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.82
Rot. Bonds6

About N-benzyl-4-phenylmethoxyquinazolin-2-amine

N-benzyl-4-phenylmethoxyquinazolin-2-amine (PubChem CID 122183224) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is N-benzyl-4-phenylmethoxyquinazolin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-phenylmethoxyquinazolin-2-amine
PubChem CID122183224
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC NameN-benzyl-4-phenylmethoxyquinazolin-2-amine
SMILESc1ccc(CNc2nc(OCc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C22H19N3O/c1-3-9-17(10-4-1)15-23-22-24-20-14-8-7-13-19(20)21(25-22)26-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,23,24,25)
InChIKeyAXJNGKTTYPCPGJ-UHFFFAOYSA-N
XLogP4.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-phenylmethoxyquinazolin-2-amine?
The IUPAC name of N-benzyl-4-phenylmethoxyquinazolin-2-amine (CID 122183224) is N-benzyl-4-phenylmethoxyquinazolin-2-amine.
What is the SMILES notation for N-benzyl-4-phenylmethoxyquinazolin-2-amine?
The canonical SMILES for N-benzyl-4-phenylmethoxyquinazolin-2-amine is c1ccc(CNc2nc(OCc3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of N-benzyl-4-phenylmethoxyquinazolin-2-amine?
The InChIKey is AXJNGKTTYPCPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-3-9-17(10-4-1)15-23-22-24-20-14-8-7-13-19(20)21(25-22)26-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,23,24,25).
What are the key properties of N-benzyl-4-phenylmethoxyquinazolin-2-amine?
N-benzyl-4-phenylmethoxyquinazolin-2-amine has a molecular weight of 341.41 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-phenylmethoxyquinazolin-2-amine is sourced from PubChem (CID 122183224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).