2,4-dichloro-7,8-dihydroquinazoline

C8H6Cl2N2 — CID 155058640

IUPAC2,4-dichloro-7,8-dihydroquinazoline
SMILESClc1nc(Cl)c2c(n1)CCC=C2
InChIInChI=1S/C8H6Cl2N2/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1,3H,2,4H2
InChIKeyXIOZQTKHLVGDAK-UHFFFAOYSA-N
MW201.06 g/mol
LogP2.74
Rot. Bonds

About 2,4-dichloro-7,8-dihydroquinazoline

2,4-dichloro-7,8-dihydroquinazoline (PubChem CID 155058640) has the molecular formula C8H6Cl2N2 and a molecular weight of 201.06 g/mol. Its IUPAC name is 2,4-dichloro-7,8-dihydroquinazoline.

Molecular Properties

Compound Name2,4-dichloro-7,8-dihydroquinazoline
PubChem CID155058640
Molecular FormulaC8H6Cl2N2
Molecular Weight201.06 g/mol
Exact Mass199.99
IUPAC Name2,4-dichloro-7,8-dihydroquinazoline
SMILESClc1nc(Cl)c2c(n1)CCC=C2
InChIInChI=1S/C8H6Cl2N2/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1,3H,2,4H2
InChIKeyXIOZQTKHLVGDAK-UHFFFAOYSA-N
XLogP2.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7,8-dihydroquinazoline?
The IUPAC name of 2,4-dichloro-7,8-dihydroquinazoline (CID 155058640) is 2,4-dichloro-7,8-dihydroquinazoline.
What is the SMILES notation for 2,4-dichloro-7,8-dihydroquinazoline?
The canonical SMILES for 2,4-dichloro-7,8-dihydroquinazoline is Clc1nc(Cl)c2c(n1)CCC=C2.
What is the InChIKey of 2,4-dichloro-7,8-dihydroquinazoline?
The InChIKey is XIOZQTKHLVGDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1,3H,2,4H2.
What are the key properties of 2,4-dichloro-7,8-dihydroquinazoline?
2,4-dichloro-7,8-dihydroquinazoline has a molecular weight of 201.06 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7,8-dihydroquinazoline is sourced from PubChem (CID 155058640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).