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

C10H12ClN3 — CID 135458392

IUPAC5-chloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine
SMILESC/N=C1/Nc2cccc(Cl)c2C(C)N1
InChIInChI=1S/C10H12ClN3/c1-6-9-7(11)4-3-5-8(9)14-10(12-2)13-6/h3-6H,1-2H3,(H2,12,13,14)
InChIKeyOVCRQVHRSLIVTD-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.40
Rot. Bonds

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

5-chloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine (PubChem CID 135458392) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 5-chloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine.

Molecular Properties

Compound Name5-chloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine
PubChem CID135458392
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name5-chloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine
SMILESC/N=C1/Nc2cccc(Cl)c2C(C)N1
InChIInChI=1S/C10H12ClN3/c1-6-9-7(11)4-3-5-8(9)14-10(12-2)13-6/h3-6H,1-2H3,(H2,12,13,14)
InChIKeyOVCRQVHRSLIVTD-UHFFFAOYSA-N
XLogP2.40
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.40
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-chloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine?
The IUPAC name of 5-chloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine (CID 135458392) is 5-chloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine.
What is the SMILES notation for 5-chloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine?
The canonical SMILES for 5-chloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine is C/N=C1/Nc2cccc(Cl)c2C(C)N1.
What is the InChIKey of 5-chloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine?
The InChIKey is OVCRQVHRSLIVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-6-9-7(11)4-3-5-8(9)14-10(12-2)13-6/h3-6H,1-2H3,(H2,12,13,14).
What are the key properties of 5-chloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine?
5-chloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine has a molecular weight of 209.68 g/mol, XLogP of 2.40, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,4-dimethyl-3,4-dihydro-1H-quinazolin-2-imine is sourced from PubChem (CID 135458392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).