6,7-dichloro-4,5-dihydroimidazo[1,2-a]quinazoline-1,2-diol

C10H7Cl2N3O2 — CID 136660633

IUPAC6,7-dichloro-4,5-dihydroimidazo[1,2-a]quinazoline-1,2-diol
SMILESOc1nc2n(c1O)-c1ccc(Cl)c(Cl)c1CN2
InChIInChI=1S/C10H7Cl2N3O2/c11-5-1-2-6-4(7(5)12)3-13-10-14-8(16)9(17)15(6)10/h1-2,16-17H,3H2,(H,13,14)
InChIKeyOERYKWCYMLQHIJ-UHFFFAOYSA-N
MW272.09 g/mol
LogP2.52
Rot. Bonds

About 6,7-dichloro-4,5-dihydroimidazo[1,2-a]quinazoline-1,2-diol

6,7-dichloro-4,5-dihydroimidazo[1,2-a]quinazoline-1,2-diol (PubChem CID 136660633) has the molecular formula C10H7Cl2N3O2 and a molecular weight of 272.09 g/mol. Its IUPAC name is 6,7-dichloro-4,5-dihydroimidazo[1,2-a]quinazoline-1,2-diol.

Molecular Properties

Compound Name6,7-dichloro-4,5-dihydroimidazo[1,2-a]quinazoline-1,2-diol
PubChem CID136660633
Molecular FormulaC10H7Cl2N3O2
Molecular Weight272.09 g/mol
Exact Mass270.99
IUPAC Name6,7-dichloro-4,5-dihydroimidazo[1,2-a]quinazoline-1,2-diol
SMILESOc1nc2n(c1O)-c1ccc(Cl)c(Cl)c1CN2
InChIInChI=1S/C10H7Cl2N3O2/c11-5-1-2-6-4(7(5)12)3-13-10-14-8(16)9(17)15(6)10/h1-2,16-17H,3H2,(H,13,14)
InChIKeyOERYKWCYMLQHIJ-UHFFFAOYSA-N
XLogP2.52
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-4,5-dihydroimidazo[1,2-a]quinazoline-1,2-diol?
The IUPAC name of 6,7-dichloro-4,5-dihydroimidazo[1,2-a]quinazoline-1,2-diol (CID 136660633) is 6,7-dichloro-4,5-dihydroimidazo[1,2-a]quinazoline-1,2-diol.
What is the SMILES notation for 6,7-dichloro-4,5-dihydroimidazo[1,2-a]quinazoline-1,2-diol?
The canonical SMILES for 6,7-dichloro-4,5-dihydroimidazo[1,2-a]quinazoline-1,2-diol is Oc1nc2n(c1O)-c1ccc(Cl)c(Cl)c1CN2.
What is the InChIKey of 6,7-dichloro-4,5-dihydroimidazo[1,2-a]quinazoline-1,2-diol?
The InChIKey is OERYKWCYMLQHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O2/c11-5-1-2-6-4(7(5)12)3-13-10-14-8(16)9(17)15(6)10/h1-2,16-17H,3H2,(H,13,14).
What are the key properties of 6,7-dichloro-4,5-dihydroimidazo[1,2-a]quinazoline-1,2-diol?
6,7-dichloro-4,5-dihydroimidazo[1,2-a]quinazoline-1,2-diol has a molecular weight of 272.09 g/mol, XLogP of 2.52, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-4,5-dihydroimidazo[1,2-a]quinazoline-1,2-diol is sourced from PubChem (CID 136660633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).