8-benzyl-4-chloroquinazoline

C15H11ClN2 — CID 113452546

IUPAC8-benzyl-4-chloroquinazoline
SMILESClc1ncnc2c(Cc3ccccc3)cccc12
InChIInChI=1S/C15H11ClN2/c16-15-13-8-4-7-12(14(13)17-10-18-15)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeyRTZGWUISSZVVIY-UHFFFAOYSA-N
MW254.72 g/mol
LogP3.87
Rot. Bonds2

About 8-benzyl-4-chloroquinazoline

8-benzyl-4-chloroquinazoline (PubChem CID 113452546) has the molecular formula C15H11ClN2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 8-benzyl-4-chloroquinazoline.

Molecular Properties

Compound Name8-benzyl-4-chloroquinazoline
PubChem CID113452546
Molecular FormulaC15H11ClN2
Molecular Weight254.72 g/mol
Exact Mass254.06
IUPAC Name8-benzyl-4-chloroquinazoline
SMILESClc1ncnc2c(Cc3ccccc3)cccc12
InChIInChI=1S/C15H11ClN2/c16-15-13-8-4-7-12(14(13)17-10-18-15)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeyRTZGWUISSZVVIY-UHFFFAOYSA-N
XLogP3.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-4-chloroquinazoline?
The IUPAC name of 8-benzyl-4-chloroquinazoline (CID 113452546) is 8-benzyl-4-chloroquinazoline.
What is the SMILES notation for 8-benzyl-4-chloroquinazoline?
The canonical SMILES for 8-benzyl-4-chloroquinazoline is Clc1ncnc2c(Cc3ccccc3)cccc12.
What is the InChIKey of 8-benzyl-4-chloroquinazoline?
The InChIKey is RTZGWUISSZVVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2/c16-15-13-8-4-7-12(14(13)17-10-18-15)9-11-5-2-1-3-6-11/h1-8,10H,9H2.
What are the key properties of 8-benzyl-4-chloroquinazoline?
8-benzyl-4-chloroquinazoline has a molecular weight of 254.72 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-4-chloroquinazoline is sourced from PubChem (CID 113452546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).