5,6-dichloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine

C10H11Cl2N3 — CID 135458394

IUPAC5,6-dichloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine
SMILESC/N=C1/Nc2ccc(Cl)c(Cl)c2C(C)N1
InChIInChI=1S/C10H11Cl2N3/c1-5-8-7(15-10(13-2)14-5)4-3-6(11)9(8)12/h3-5H,1-2H3,(H2,13,14,15)
InChIKeyQZNXPVYAMUSJAD-UHFFFAOYSA-N
MW244.12 g/mol
LogP3.06
Rot. Bonds

About 5,6-dichloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine

5,6-dichloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine (PubChem CID 135458394) has the molecular formula C10H11Cl2N3 and a molecular weight of 244.12 g/mol. Its IUPAC name is 5,6-dichloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine.

Molecular Properties

Compound Name5,6-dichloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine
PubChem CID135458394
Molecular FormulaC10H11Cl2N3
Molecular Weight244.12 g/mol
Exact Mass243.03
IUPAC Name5,6-dichloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine
SMILESC/N=C1/Nc2ccc(Cl)c(Cl)c2C(C)N1
InChIInChI=1S/C10H11Cl2N3/c1-5-8-7(15-10(13-2)14-5)4-3-6(11)9(8)12/h3-5H,1-2H3,(H2,13,14,15)
InChIKeyQZNXPVYAMUSJAD-UHFFFAOYSA-N
XLogP3.06
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine?
The IUPAC name of 5,6-dichloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine (CID 135458394) is 5,6-dichloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine.
What is the SMILES notation for 5,6-dichloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine?
The canonical SMILES for 5,6-dichloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine is C/N=C1/Nc2ccc(Cl)c(Cl)c2C(C)N1.
What is the InChIKey of 5,6-dichloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine?
The InChIKey is QZNXPVYAMUSJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3/c1-5-8-7(15-10(13-2)14-5)4-3-6(11)9(8)12/h3-5H,1-2H3,(H2,13,14,15).
What are the key properties of 5,6-dichloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine?
5,6-dichloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine has a molecular weight of 244.12 g/mol, XLogP of 3.06, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine is sourced from PubChem (CID 135458394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).