2-[2-(3-chlorophenyl)-6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-4-oxoquinazolin-3-yl]-N,N-dimethylacetamide

C25H28ClN5O2 — CID 51352798

IUPAC2-[2-(3-chlorophenyl)-6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-4-oxoquinazolin-3-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(N3CCN4CCC3CC4)cc2c1=O
InChIInChI=1S/C25H28ClN5O2/c1-28(2)23(32)16-31-24(17-4-3-5-18(26)14-17)27-22-7-6-20(15-21(22)25(31)33)30-13-12-29-10-8-19(30)9-11-29/h3-7,14-15,19H,8-13,16H2,1-2H3
InChIKeyGLQWDUDHSNYAGG-UHFFFAOYSA-N
MW465.99 g/mol
LogP3.09
Rot. Bonds4

About 2-[2-(3-chlorophenyl)-6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-4-oxoquinazolin-3-yl]-N,N-dimethylacetamide

2-[2-(3-chlorophenyl)-6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-4-oxoquinazolin-3-yl]-N,N-dimethylacetamide (PubChem CID 51352798) has the molecular formula C25H28ClN5O2 and a molecular weight of 465.99 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-4-oxoquinazolin-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-4-oxoquinazolin-3-yl]-N,N-dimethylacetamide
PubChem CID51352798
Molecular FormulaC25H28ClN5O2
Molecular Weight465.99 g/mol
Exact Mass465.19
IUPAC Name2-[2-(3-chlorophenyl)-6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-4-oxoquinazolin-3-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(N3CCN4CCC3CC4)cc2c1=O
InChIInChI=1S/C25H28ClN5O2/c1-28(2)23(32)16-31-24(17-4-3-5-18(26)14-17)27-22-7-6-20(15-21(22)25(31)33)30-13-12-29-10-8-19(30)9-11-29/h3-7,14-15,19H,8-13,16H2,1-2H3
InChIKeyGLQWDUDHSNYAGG-UHFFFAOYSA-N
XLogP3.09
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.99
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-4-oxoquinazolin-3-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-4-oxoquinazolin-3-yl]-N,N-dimethylacetamide (CID 51352798) is 2-[2-(3-chlorophenyl)-6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-4-oxoquinazolin-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-4-oxoquinazolin-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-4-oxoquinazolin-3-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(N3CCN4CCC3CC4)cc2c1=O.
What is the InChIKey of 2-[2-(3-chlorophenyl)-6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-4-oxoquinazolin-3-yl]-N,N-dimethylacetamide?
The InChIKey is GLQWDUDHSNYAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O2/c1-28(2)23(32)16-31-24(17-4-3-5-18(26)14-17)27-22-7-6-20(15-21(22)25(31)33)30-13-12-29-10-8-19(30)9-11-29/h3-7,14-15,19H,8-13,16H2,1-2H3.
What are the key properties of 2-[2-(3-chlorophenyl)-6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-4-oxoquinazolin-3-yl]-N,N-dimethylacetamide?
2-[2-(3-chlorophenyl)-6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-4-oxoquinazolin-3-yl]-N,N-dimethylacetamide has a molecular weight of 465.99 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-4-oxoquinazolin-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 51352798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).