N-benzyl-8-methoxyquinazolin-4-amine

C16H15N3O — CID 5328035

IUPACN-benzyl-8-methoxyquinazolin-4-amine
SMILESCOc1cccc2c(NCc3ccccc3)ncnc12
InChIInChI=1S/C16H15N3O/c1-20-14-9-5-8-13-15(14)18-11-19-16(13)17-10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,17,18,19)
InChIKeyACWOCKBRFHRZLC-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.25
Rot. Bonds4

About N-benzyl-8-methoxyquinazolin-4-amine

N-benzyl-8-methoxyquinazolin-4-amine (PubChem CID 5328035) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-benzyl-8-methoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-8-methoxyquinazolin-4-amine
PubChem CID5328035
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-benzyl-8-methoxyquinazolin-4-amine
SMILESCOc1cccc2c(NCc3ccccc3)ncnc12
InChIInChI=1S/C16H15N3O/c1-20-14-9-5-8-13-15(14)18-11-19-16(13)17-10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,17,18,19)
InChIKeyACWOCKBRFHRZLC-UHFFFAOYSA-N
XLogP3.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-8-methoxyquinazolin-4-amine?
The IUPAC name of N-benzyl-8-methoxyquinazolin-4-amine (CID 5328035) is N-benzyl-8-methoxyquinazolin-4-amine.
What is the SMILES notation for N-benzyl-8-methoxyquinazolin-4-amine?
The canonical SMILES for N-benzyl-8-methoxyquinazolin-4-amine is COc1cccc2c(NCc3ccccc3)ncnc12.
What is the InChIKey of N-benzyl-8-methoxyquinazolin-4-amine?
The InChIKey is ACWOCKBRFHRZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-14-9-5-8-13-15(14)18-11-19-16(13)17-10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,17,18,19).
What are the key properties of N-benzyl-8-methoxyquinazolin-4-amine?
N-benzyl-8-methoxyquinazolin-4-amine has a molecular weight of 265.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-8-methoxyquinazolin-4-amine is sourced from PubChem (CID 5328035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).