2-[2-(3-chlorophenyl)-4-oxo-6-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)quinazolin-3-yl]-N-propan-2-ylacetamide

C26H28ClN5O2 — CID 67417723

IUPAC2-[2-(3-chlorophenyl)-4-oxo-6-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)quinazolin-3-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(N3CCN4CCC=C4C3)cc2c1=O
InChIInChI=1S/C26H28ClN5O2/c1-17(2)28-24(33)16-32-25(18-5-3-6-19(27)13-18)29-23-9-8-20(14-22(23)26(32)34)31-12-11-30-10-4-7-21(30)15-31/h3,5-9,13-14,17H,4,10-12,15-16H2,1-2H3,(H,28,33)
InChIKeyOGZWUAXQWRUXRL-UHFFFAOYSA-N
MW478.00 g/mol
LogP3.65
Rot. Bonds5

About 2-[2-(3-chlorophenyl)-4-oxo-6-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)quinazolin-3-yl]-N-propan-2-ylacetamide

2-[2-(3-chlorophenyl)-4-oxo-6-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)quinazolin-3-yl]-N-propan-2-ylacetamide (PubChem CID 67417723) has the molecular formula C26H28ClN5O2 and a molecular weight of 478.00 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-4-oxo-6-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)quinazolin-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-4-oxo-6-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)quinazolin-3-yl]-N-propan-2-ylacetamide
PubChem CID67417723
Molecular FormulaC26H28ClN5O2
Molecular Weight478.00 g/mol
Exact Mass477.19
IUPAC Name2-[2-(3-chlorophenyl)-4-oxo-6-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)quinazolin-3-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(N3CCN4CCC=C4C3)cc2c1=O
InChIInChI=1S/C26H28ClN5O2/c1-17(2)28-24(33)16-32-25(18-5-3-6-19(27)13-18)29-23-9-8-20(14-22(23)26(32)34)31-12-11-30-10-4-7-21(30)15-31/h3,5-9,13-14,17H,4,10-12,15-16H2,1-2H3,(H,28,33)
InChIKeyOGZWUAXQWRUXRL-UHFFFAOYSA-N
XLogP3.65
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.00
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-4-oxo-6-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)quinazolin-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-4-oxo-6-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)quinazolin-3-yl]-N-propan-2-ylacetamide (CID 67417723) is 2-[2-(3-chlorophenyl)-4-oxo-6-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)quinazolin-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-4-oxo-6-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)quinazolin-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-4-oxo-6-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)quinazolin-3-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(N3CCN4CCC=C4C3)cc2c1=O.
What is the InChIKey of 2-[2-(3-chlorophenyl)-4-oxo-6-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)quinazolin-3-yl]-N-propan-2-ylacetamide?
The InChIKey is OGZWUAXQWRUXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O2/c1-17(2)28-24(33)16-32-25(18-5-3-6-19(27)13-18)29-23-9-8-20(14-22(23)26(32)34)31-12-11-30-10-4-7-21(30)15-31/h3,5-9,13-14,17H,4,10-12,15-16H2,1-2H3,(H,28,33).
What are the key properties of 2-[2-(3-chlorophenyl)-4-oxo-6-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)quinazolin-3-yl]-N-propan-2-ylacetamide?
2-[2-(3-chlorophenyl)-4-oxo-6-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)quinazolin-3-yl]-N-propan-2-ylacetamide has a molecular weight of 478.00 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-4-oxo-6-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)quinazolin-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 67417723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).