5,7-dichloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

C11H8Cl2N2O — CID 2400430

IUPAC5,7-dichloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESO=c1c2cc(Cl)cc(Cl)c2nc2n1CCC2
InChIInChI=1S/C11H8Cl2N2O/c12-6-4-7-10(8(13)5-6)14-9-2-1-3-15(9)11(7)16/h4-5H,1-3H2
InChIKeyIDZWLTHVSSWQBK-UHFFFAOYSA-N
MW255.10 g/mol
LogP2.65
Rot. Bonds

About 5,7-dichloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

5,7-dichloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one (PubChem CID 2400430) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 5,7-dichloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one.

Molecular Properties

Compound Name5,7-dichloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
PubChem CID2400430
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name5,7-dichloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESO=c1c2cc(Cl)cc(Cl)c2nc2n1CCC2
InChIInChI=1S/C11H8Cl2N2O/c12-6-4-7-10(8(13)5-6)14-9-2-1-3-15(9)11(7)16/h4-5H,1-3H2
InChIKeyIDZWLTHVSSWQBK-UHFFFAOYSA-N
XLogP2.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The IUPAC name of 5,7-dichloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one (CID 2400430) is 5,7-dichloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one.
What is the SMILES notation for 5,7-dichloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The canonical SMILES for 5,7-dichloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one is O=c1c2cc(Cl)cc(Cl)c2nc2n1CCC2.
What is the InChIKey of 5,7-dichloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The InChIKey is IDZWLTHVSSWQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c12-6-4-7-10(8(13)5-6)14-9-2-1-3-15(9)11(7)16/h4-5H,1-3H2.
What are the key properties of 5,7-dichloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
5,7-dichloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one has a molecular weight of 255.10 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one is sourced from PubChem (CID 2400430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).