2-benzyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine

C26H21N3 — CID 69232051

IUPAC2-benzyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine
SMILESc1ccc(Cc2nc(NCc3cccc4ccccc34)c3ccccc3n2)cc1
InChIInChI=1S/C26H21N3/c1-2-9-19(10-3-1)17-25-28-24-16-7-6-15-23(24)26(29-25)27-18-21-13-8-12-20-11-4-5-14-22(20)21/h1-16H,17-18H2,(H,27,28,29)
InChIKeyJYKIKYLYYIEXTL-UHFFFAOYSA-N
MW375.48 g/mol
LogP5.99
Rot. Bonds5

About 2-benzyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine

2-benzyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine (PubChem CID 69232051) has the molecular formula C26H21N3 and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-benzyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-benzyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine
PubChem CID69232051
Molecular FormulaC26H21N3
Molecular Weight375.48 g/mol
Exact Mass375.17
IUPAC Name2-benzyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine
SMILESc1ccc(Cc2nc(NCc3cccc4ccccc34)c3ccccc3n2)cc1
InChIInChI=1S/C26H21N3/c1-2-9-19(10-3-1)17-25-28-24-16-7-6-15-23(24)26(29-25)27-18-21-13-8-12-20-11-4-5-14-22(20)21/h1-16H,17-18H2,(H,27,28,29)
InChIKeyJYKIKYLYYIEXTL-UHFFFAOYSA-N
XLogP5.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.48
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-benzyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine (CID 69232051) is 2-benzyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-benzyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-benzyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine is c1ccc(Cc2nc(NCc3cccc4ccccc34)c3ccccc3n2)cc1.
What is the InChIKey of 2-benzyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine?
The InChIKey is JYKIKYLYYIEXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3/c1-2-9-19(10-3-1)17-25-28-24-16-7-6-15-23(24)26(29-25)27-18-21-13-8-12-20-11-4-5-14-22(20)21/h1-16H,17-18H2,(H,27,28,29).
What are the key properties of 2-benzyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine?
2-benzyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine has a molecular weight of 375.48 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(naphthalen-1-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 69232051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).