2,4-dichloro-1,2-dihydroquinazoline

C8H6Cl2N2 — CID 135995139

IUPAC2,4-dichloro-1,2-dihydroquinazoline
SMILESClC1=NC(Cl)Nc2ccccc21
InChIInChI=1S/C8H6Cl2N2/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4,8,11H
InChIKeyXSEACQPQGRFWRL-UHFFFAOYSA-N
MW201.06 g/mol
LogP2.62
Rot. Bonds

About 2,4-dichloro-1,2-dihydroquinazoline

2,4-dichloro-1,2-dihydroquinazoline (PubChem CID 135995139) has the molecular formula C8H6Cl2N2 and a molecular weight of 201.06 g/mol. Its IUPAC name is 2,4-dichloro-1,2-dihydroquinazoline.

Molecular Properties

Compound Name2,4-dichloro-1,2-dihydroquinazoline
PubChem CID135995139
Molecular FormulaC8H6Cl2N2
Molecular Weight201.06 g/mol
Exact Mass199.99
IUPAC Name2,4-dichloro-1,2-dihydroquinazoline
SMILESClC1=NC(Cl)Nc2ccccc21
InChIInChI=1S/C8H6Cl2N2/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4,8,11H
InChIKeyXSEACQPQGRFWRL-UHFFFAOYSA-N
XLogP2.62
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1,2-dihydroquinazoline?
The IUPAC name of 2,4-dichloro-1,2-dihydroquinazoline (CID 135995139) is 2,4-dichloro-1,2-dihydroquinazoline.
What is the SMILES notation for 2,4-dichloro-1,2-dihydroquinazoline?
The canonical SMILES for 2,4-dichloro-1,2-dihydroquinazoline is ClC1=NC(Cl)Nc2ccccc21.
What is the InChIKey of 2,4-dichloro-1,2-dihydroquinazoline?
The InChIKey is XSEACQPQGRFWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4,8,11H.
What are the key properties of 2,4-dichloro-1,2-dihydroquinazoline?
2,4-dichloro-1,2-dihydroquinazoline has a molecular weight of 201.06 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1,2-dihydroquinazoline is sourced from PubChem (CID 135995139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).