3-hydroxy-3-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-yl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one

C22H20N4O2 — CID 15896180

IUPAC3-hydroxy-3-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-yl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
SMILESO=c1c2ccccc2nc2n1CCC2(O)C1c2ccccc2N=C2CCCN21
InChIInChI=1S/C22H20N4O2/c27-20-15-7-2-4-9-17(15)24-21-22(28,11-13-26(20)21)19-14-6-1-3-8-16(14)23-18-10-5-12-25(18)19/h1-4,6-9,19,28H,5,10-13H2
InChIKeyBEDKDIQIUJUEML-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.87
Rot. Bonds1

About 3-hydroxy-3-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-yl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one

3-hydroxy-3-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-yl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one (PubChem CID 15896180) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-hydroxy-3-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-yl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one.

Molecular Properties

Compound Name3-hydroxy-3-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-yl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
PubChem CID15896180
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name3-hydroxy-3-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-yl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
SMILESO=c1c2ccccc2nc2n1CCC2(O)C1c2ccccc2N=C2CCCN21
InChIInChI=1S/C22H20N4O2/c27-20-15-7-2-4-9-17(15)24-21-22(28,11-13-26(20)21)19-14-6-1-3-8-16(14)23-18-10-5-12-25(18)19/h1-4,6-9,19,28H,5,10-13H2
InChIKeyBEDKDIQIUJUEML-UHFFFAOYSA-N
XLogP2.87
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-yl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
The IUPAC name of 3-hydroxy-3-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-yl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one (CID 15896180) is 3-hydroxy-3-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-yl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one.
What is the SMILES notation for 3-hydroxy-3-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-yl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
The canonical SMILES for 3-hydroxy-3-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-yl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one is O=c1c2ccccc2nc2n1CCC2(O)C1c2ccccc2N=C2CCCN21.
What is the InChIKey of 3-hydroxy-3-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-yl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
The InChIKey is BEDKDIQIUJUEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-20-15-7-2-4-9-17(15)24-21-22(28,11-13-26(20)21)19-14-6-1-3-8-16(14)23-18-10-5-12-25(18)19/h1-4,6-9,19,28H,5,10-13H2.
What are the key properties of 3-hydroxy-3-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-yl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
3-hydroxy-3-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-yl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one has a molecular weight of 372.43 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-yl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one is sourced from PubChem (CID 15896180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).