6,7,8-trichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one

C10H6Cl3N3O — CID 135565383

IUPAC6,7,8-trichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESO=C1CN2Cc3c(cc(Cl)c(Cl)c3Cl)N=C2N1
InChIInChI=1S/C10H6Cl3N3O/c11-5-1-6-4(8(12)9(5)13)2-16-3-7(17)15-10(16)14-6/h1H,2-3H2,(H,14,15,17)
InChIKeyQCMDDIIKBFVZSY-UHFFFAOYSA-N
MW290.54 g/mol
LogP2.58
Rot. Bonds

About 6,7,8-trichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one

6,7,8-trichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (PubChem CID 135565383) has the molecular formula C10H6Cl3N3O and a molecular weight of 290.54 g/mol. Its IUPAC name is 6,7,8-trichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.

Molecular Properties

Compound Name6,7,8-trichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
PubChem CID135565383
Molecular FormulaC10H6Cl3N3O
Molecular Weight290.54 g/mol
Exact Mass288.96
IUPAC Name6,7,8-trichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESO=C1CN2Cc3c(cc(Cl)c(Cl)c3Cl)N=C2N1
InChIInChI=1S/C10H6Cl3N3O/c11-5-1-6-4(8(12)9(5)13)2-16-3-7(17)15-10(16)14-6/h1H,2-3H2,(H,14,15,17)
InChIKeyQCMDDIIKBFVZSY-UHFFFAOYSA-N
XLogP2.58
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.54
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7,8-trichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The IUPAC name of 6,7,8-trichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (CID 135565383) is 6,7,8-trichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.
What is the SMILES notation for 6,7,8-trichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The canonical SMILES for 6,7,8-trichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is O=C1CN2Cc3c(cc(Cl)c(Cl)c3Cl)N=C2N1.
What is the InChIKey of 6,7,8-trichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The InChIKey is QCMDDIIKBFVZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3N3O/c11-5-1-6-4(8(12)9(5)13)2-16-3-7(17)15-10(16)14-6/h1H,2-3H2,(H,14,15,17).
What are the key properties of 6,7,8-trichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
6,7,8-trichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one has a molecular weight of 290.54 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is sourced from PubChem (CID 135565383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).