1-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one

C18H17N3O2 — CID 118710731

IUPAC1-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one
SMILESO=c1c2cc(O)ccc2nc2n1CCCN2Cc1ccccc1
InChIInChI=1S/C18H17N3O2/c22-14-7-8-16-15(11-14)17(23)21-10-4-9-20(18(21)19-16)12-13-5-2-1-3-6-13/h1-3,5-8,11,22H,4,9-10,12H2
InChIKeyHTXUDRKOBZBJTA-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.51
Rot. Bonds2

About 1-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one

1-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one (PubChem CID 118710731) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one.

Molecular Properties

Compound Name1-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one
PubChem CID118710731
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name1-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one
SMILESO=c1c2cc(O)ccc2nc2n1CCCN2Cc1ccccc1
InChIInChI=1S/C18H17N3O2/c22-14-7-8-16-15(11-14)17(23)21-10-4-9-20(18(21)19-16)12-13-5-2-1-3-6-13/h1-3,5-8,11,22H,4,9-10,12H2
InChIKeyHTXUDRKOBZBJTA-UHFFFAOYSA-N
XLogP2.51
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one?
The IUPAC name of 1-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one (CID 118710731) is 1-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one.
What is the SMILES notation for 1-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one?
The canonical SMILES for 1-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one is O=c1c2cc(O)ccc2nc2n1CCCN2Cc1ccccc1.
What is the InChIKey of 1-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one?
The InChIKey is HTXUDRKOBZBJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-14-7-8-16-15(11-14)17(23)21-10-4-9-20(18(21)19-16)12-13-5-2-1-3-6-13/h1-3,5-8,11,22H,4,9-10,12H2.
What are the key properties of 1-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one?
1-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one has a molecular weight of 307.35 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one is sourced from PubChem (CID 118710731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).