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

C10H7Cl3N3O- — CID 135860278

IUPAC6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one chloride
SMILESO=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1.[Cl-]
InChIInChI=1S/C10H7Cl2N3O.ClH/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7;/h1-2H,3-4H2,(H,13,14,16);1H/p-1
InChIKeyTVWRQCIPWUCNMI-UHFFFAOYSA-M
MW291.55 g/mol
LogP-1.07
Rot. Bonds

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

6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one chloride (PubChem CID 135860278) has the molecular formula C10H7Cl3N3O- and a molecular weight of 291.55 g/mol. Its IUPAC name is 6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one chloride.

Molecular Properties

Compound Name6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one chloride
PubChem CID135860278
Molecular FormulaC10H7Cl3N3O-
Molecular Weight291.55 g/mol
Exact Mass289.97
IUPAC Name6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one chloride
SMILESO=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1.[Cl-]
InChIInChI=1S/C10H7Cl2N3O.ClH/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7;/h1-2H,3-4H2,(H,13,14,16);1H/p-1
InChIKeyTVWRQCIPWUCNMI-UHFFFAOYSA-M
XLogP-1.07
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.55
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one chloride?
The IUPAC name of 6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one chloride (CID 135860278) is 6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one chloride.
What is the SMILES notation for 6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one chloride?
The canonical SMILES for 6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one chloride is O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1.[Cl-].
What is the InChIKey of 6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one chloride?
The InChIKey is TVWRQCIPWUCNMI-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H7Cl2N3O.ClH/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7;/h1-2H,3-4H2,(H,13,14,16);1H/p-1.
What are the key properties of 6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one chloride?
6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one chloride has a molecular weight of 291.55 g/mol, XLogP of -1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one chloride is sourced from PubChem (CID 135860278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).