N-benzyl-2,5-dichloroquinazolin-4-amine

C15H11Cl2N3 — CID 87550452

IUPACN-benzyl-2,5-dichloroquinazolin-4-amine
SMILESClc1nc(NCc2ccccc2)c2c(Cl)cccc2n1
InChIInChI=1S/C15H11Cl2N3/c16-11-7-4-8-12-13(11)14(20-15(17)19-12)18-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,18,19,20)
InChIKeyJVQYLTJGKJYHCK-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.55
Rot. Bonds3

About N-benzyl-2,5-dichloroquinazolin-4-amine

N-benzyl-2,5-dichloroquinazolin-4-amine (PubChem CID 87550452) has the molecular formula C15H11Cl2N3 and a molecular weight of 304.18 g/mol. Its IUPAC name is N-benzyl-2,5-dichloroquinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2,5-dichloroquinazolin-4-amine
PubChem CID87550452
Molecular FormulaC15H11Cl2N3
Molecular Weight304.18 g/mol
Exact Mass303.03
IUPAC NameN-benzyl-2,5-dichloroquinazolin-4-amine
SMILESClc1nc(NCc2ccccc2)c2c(Cl)cccc2n1
InChIInChI=1S/C15H11Cl2N3/c16-11-7-4-8-12-13(11)14(20-15(17)19-12)18-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,18,19,20)
InChIKeyJVQYLTJGKJYHCK-UHFFFAOYSA-N
XLogP4.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,5-dichloroquinazolin-4-amine?
The IUPAC name of N-benzyl-2,5-dichloroquinazolin-4-amine (CID 87550452) is N-benzyl-2,5-dichloroquinazolin-4-amine.
What is the SMILES notation for N-benzyl-2,5-dichloroquinazolin-4-amine?
The canonical SMILES for N-benzyl-2,5-dichloroquinazolin-4-amine is Clc1nc(NCc2ccccc2)c2c(Cl)cccc2n1.
What is the InChIKey of N-benzyl-2,5-dichloroquinazolin-4-amine?
The InChIKey is JVQYLTJGKJYHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3/c16-11-7-4-8-12-13(11)14(20-15(17)19-12)18-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,18,19,20).
What are the key properties of N-benzyl-2,5-dichloroquinazolin-4-amine?
N-benzyl-2,5-dichloroquinazolin-4-amine has a molecular weight of 304.18 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,5-dichloroquinazolin-4-amine is sourced from PubChem (CID 87550452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).